methyl 6-(1H-pyrrol-1-yl)nicotinate
TL;DR: methyl 6-(1H-pyrrol-1-yl)nicotinate (CAS 852180-80-4) is a chemical compound with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-pyrrol-1-ylpyridine-3-carboxylate
Also Known As: methyl 6-(1H-pyrrol-1-yl)nicotinate, methylpyrrolylnicotinate, methyl 6-pyrrol-1-ylpyridine-3-carboxylate, methyl 6-(1H-pyrrol-1-yl)pyridine-3-carboxylate, 0716AF
| Molecular Formula | C11H10N2O2 |
|---|---|
| Molecular Weight | 202.07 g/mol |
| LogP | 1.6589 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.07423 |
| Heavy Atoms | 15 |
| Complexity | 445.94998 |
Chemical Identifiers
| CAS Number | 852180-80-4 |
|---|---|
| SMILES | COC(=O)C1=CN=C(C=C1)N2C=CC=C2 |
Product Overview
methyl 6-(1H-pyrrol-1-yl)nicotinate (CAS 852180-80-4), with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol. IUPAC: methyl 6-pyrrol-1-ylpyridine-3-carboxylate.
Chemical Property Profile of methyl 6-(1H-pyrrol-1-yl)nicotinate
Property Insights of methyl 6-(1H-pyrrol-1-yl)nicotinate
The XLogP value of 1.6589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 6-(1H-pyrrol-1-yl)nicotinate. With a topological polar surface area (TPSA) of 44.12 Ų, methyl 6-(1H-pyrrol-1-yl)nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 6-(1H-pyrrol-1-yl)nicotinate has 0 hydrogen bond donor(s) and 3 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 methyl 6-(1H-pyrrol-1-yl)nicotinate?
The CAS number of methyl 6-(1H-pyrrol-1-yl)nicotinate is 852180-80-4.
What is the molecular formula of methyl 6-(1H-pyrrol-1-yl)nicotinate?
The molecular formula of methyl 6-(1H-pyrrol-1-yl)nicotinate is C11H10N2O2.
What is the molecular weight of methyl 6-(1H-pyrrol-1-yl)nicotinate?
The molecular weight of methyl 6-(1H-pyrrol-1-yl)nicotinate is 202.07 g/mol.
Where can I buy methyl 6-(1H-pyrrol-1-yl)nicotinate?
You can request a quote for methyl 6-(1H-pyrrol-1-yl)nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 6-(1H-pyrrol-1-yl)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-(1H-pyrrol-1-yl)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.