methyl 6-methoxypyridine-3-carboxylate

C8H9NO3 — CID 586039

IUPACmethyl 6-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OC)nc1
InChIInChI=1S/C8H9NO3/c1-11-7-4-3-6(5-9-7)8(10)12-2/h3-5H,1-2H3
InChIKeyOVLDWZNVBDRZNN-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.88
Rot. Bonds2

About methyl 6-methoxypyridine-3-carboxylate

methyl 6-methoxypyridine-3-carboxylate (PubChem CID 586039) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is methyl 6-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxypyridine-3-carboxylate
PubChem CID586039
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Namemethyl 6-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OC)nc1
InChIInChI=1S/C8H9NO3/c1-11-7-4-3-6(5-9-7)8(10)12-2/h3-5H,1-2H3
InChIKeyOVLDWZNVBDRZNN-UHFFFAOYSA-N
XLogP0.88
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 6-methoxypyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxypyridine-3-carboxylate?
The IUPAC name of methyl 6-methoxypyridine-3-carboxylate (CID 586039) is methyl 6-methoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 6-methoxypyridine-3-carboxylate?
The canonical SMILES for methyl 6-methoxypyridine-3-carboxylate is COC(=O)c1ccc(OC)nc1.
What is the InChIKey of methyl 6-methoxypyridine-3-carboxylate?
The InChIKey is OVLDWZNVBDRZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-11-7-4-3-6(5-9-7)8(10)12-2/h3-5H,1-2H3.
What are the key properties of methyl 6-methoxypyridine-3-carboxylate?
methyl 6-methoxypyridine-3-carboxylate has a molecular weight of 167.16 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxypyridine-3-carboxylate is sourced from PubChem (CID 586039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).