Methyl 6-formylpyridine-3-carboxylate
TL;DR: Methyl 6-formylpyridine-3-carboxylate (CAS 10174-89-7) is a chemical compound with molecular formula C8H7NO3 and molecular weight 165.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-formylpyridine-3-carboxylate
Also Known As: Methyl 6-formylnicotinate, Methyl 6-formylpyridine-3-carboxylate, methylformylnicotinate, 4-phenylbutan-2-amine, 4-Phenyl-2-butanamine
| Molecular Formula | C8H7NO3 |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 56.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.04259 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 10174-89-7 |
|---|---|
| SMILES | COC(=O)C1=CN=C(C=C1)C=O |
| InChIKey | BZOWIADSJYMJJJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 6-formylpyridine-3-carboxylate (CAS 10174-89-7), with molecular formula C8H7NO3 and molecular weight 165.04 g/mol. IUPAC: methyl 6-formylpyridine-3-carboxylate.
Chemical Property Profile of Methyl 6-formylpyridine-3-carboxylate
Property Insights of Methyl 6-formylpyridine-3-carboxylate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-formylpyridine-3-carboxylate. With a topological polar surface area (TPSA) of 56.3 Ų, Methyl 6-formylpyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 6-formylpyridine-3-carboxylate has 0 hydrogen bond donor(s) and 4 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-formylpyridine-3-carboxylate?
The CAS number of Methyl 6-formylpyridine-3-carboxylate is 10174-89-7.
What is the molecular formula of Methyl 6-formylpyridine-3-carboxylate?
The molecular formula of Methyl 6-formylpyridine-3-carboxylate is C8H7NO3.
What is the molecular weight of Methyl 6-formylpyridine-3-carboxylate?
The molecular weight of Methyl 6-formylpyridine-3-carboxylate is 165.04 g/mol.
Where can I buy Methyl 6-formylpyridine-3-carboxylate?
You can request a quote for Methyl 6-formylpyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-formylpyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-formylpyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.