methyl 2-methoxypyridine-3-carboxylate

C8H9NO3 — CID 10820973

IUPACmethyl 2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1OC
InChIInChI=1S/C8H9NO3/c1-11-7-6(8(10)12-2)4-3-5-9-7/h3-5H,1-2H3
InChIKeyMAHKNPZKAJMOLU-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.88
Rot. Bonds2

About methyl 2-methoxypyridine-3-carboxylate

methyl 2-methoxypyridine-3-carboxylate (PubChem CID 10820973) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is methyl 2-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxypyridine-3-carboxylate
PubChem CID10820973
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Namemethyl 2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1OC
InChIInChI=1S/C8H9NO3/c1-11-7-6(8(10)12-2)4-3-5-9-7/h3-5H,1-2H3
InChIKeyMAHKNPZKAJMOLU-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 2-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

Related Compounds

Trigonelline
CID 5570
Methyl Nicotinate
CID 7151
Ethyl Nicotinate
CID 69188
2-Butoxyethyl 3-pyridinecarboxylate
CID 14866
Nicametate
CID 71650
Nicotinate
CID 937
Hexyl nicotinate
CID 90202
Isopropyl nicotinate
CID 68379
Butyl nicotinate
CID 81353
Niacin sodium
CID 23687810
2,6-Dimethoxypyridine-3-carboxylic acid
CID 853178
CID 117629482
CID 117629482

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxypyridine-3-carboxylate?
The IUPAC name of methyl 2-methoxypyridine-3-carboxylate (CID 10820973) is methyl 2-methoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methoxypyridine-3-carboxylate?
The canonical SMILES for methyl 2-methoxypyridine-3-carboxylate is COC(=O)c1cccnc1OC.
What is the InChIKey of methyl 2-methoxypyridine-3-carboxylate?
The InChIKey is MAHKNPZKAJMOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-11-7-6(8(10)12-2)4-3-5-9-7/h3-5H,1-2H3.
What are the key properties of methyl 2-methoxypyridine-3-carboxylate?
methyl 2-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 2-methoxypyridine-3-carboxylate is sourced from PubChem (CID 10820973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).