methyl 4-methoxypyridine-3-carboxylate

C8H9NO3 — CID 10678657

IUPACmethyl 4-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1OC
InChIInChI=1S/C8H9NO3/c1-11-7-3-4-9-5-6(7)8(10)12-2/h3-5H,1-2H3
InChIKeyGPYPBIOSNPTCAU-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.88
Rot. Bonds2

About methyl 4-methoxypyridine-3-carboxylate

methyl 4-methoxypyridine-3-carboxylate (PubChem CID 10678657) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is methyl 4-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxypyridine-3-carboxylate
PubChem CID10678657
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Namemethyl 4-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1OC
InChIInChI=1S/C8H9NO3/c1-11-7-3-4-9-5-6(7)8(10)12-2/h3-5H,1-2H3
InChIKeyGPYPBIOSNPTCAU-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 4-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 4-methoxypyridine-3-carboxylate?
The IUPAC name of methyl 4-methoxypyridine-3-carboxylate (CID 10678657) is methyl 4-methoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 4-methoxypyridine-3-carboxylate?
The canonical SMILES for methyl 4-methoxypyridine-3-carboxylate is COC(=O)c1cnccc1OC.
What is the InChIKey of methyl 4-methoxypyridine-3-carboxylate?
The InChIKey is GPYPBIOSNPTCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-11-7-3-4-9-5-6(7)8(10)12-2/h3-5H,1-2H3.
What are the key properties of methyl 4-methoxypyridine-3-carboxylate?
methyl 4-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 4-methoxypyridine-3-carboxylate is sourced from PubChem (CID 10678657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).