1,2-Benzenedicarboxylic acid, 3-nitro-, compd. with pyridine (1:1)
TL;DR: 1,2-Benzenedicarboxylic acid, 3-nitro-, compd. with pyridine (1:1) (CAS 63451-32-1) is a chemical compound with molecular formula C13H10N2O6 and molecular weight 290.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitrophthalic acid;pyridine
Also Known As: Pyridinium 3-nitrophthalate, 3-nitrophthalic acid,pyridine, 3-nitrophthalic acid; pyridine, 4-((Diethylamino)methyl)aniline, Pyridine, 3-nitrophthalic acid salt
| Molecular Formula | C13H10N2O6 |
|---|---|
| Molecular Weight | 290.05 g/mol |
| LogP | 2.07 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.0539 |
| Heavy Atoms | 21 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 63451-32-1 |
|---|---|
| SMILES | C1=CC=NC=C1.C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O |
| InChIKey | BEUKKBRRUALXBQ-UHFFFAOYSA-N |
Product Overview
1,2-Benzenedicarboxylic acid, 3-nitro-, compd. with pyridine (1:1) (CAS 63451-32-1), with molecular formula C13H10N2O6 and molecular weight 290.05 g/mol. IUPAC: 3-nitrophthalic acid;pyridine.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 3-nitro-, compd. with pyridine (1:1)
Property Insights of 1,2-Benzenedicarboxylic acid, 3-nitro-, compd. with pyridine (1:1)
The XLogP value of 2.07 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenedicarboxylic acid, 3-nitro-, compd. with pyridine (1:1). The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenedicarboxylic acid, 3-nitro-, compd. with pyridine (1:1). Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 3-nitro-, compd. with pyridine (1:1) has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Benzenedicarboxylic acid, 3-nitro-, compd. with pyridine (1:1)?
The CAS number of 1,2-Benzenedicarboxylic acid, 3-nitro-, compd. with pyridine (1:1) is 63451-32-1.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 3-nitro-, compd. with pyridine (1:1)?
The molecular formula of 1,2-Benzenedicarboxylic acid, 3-nitro-, compd. with pyridine (1:1) is C13H10N2O6.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 3-nitro-, compd. with pyridine (1:1)?
The molecular weight of 1,2-Benzenedicarboxylic acid, 3-nitro-, compd. with pyridine (1:1) is 290.05 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 3-nitro-, compd. with pyridine (1:1)?
You can request a quote for 1,2-Benzenedicarboxylic acid, 3-nitro-, compd. with pyridine (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenedicarboxylic acid, 3-nitro-, compd. with pyridine (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 3-nitro-, compd. with pyridine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.