methyl 2-methylpyridine-3-carboxylate

C8H9NO2 — CID 7015327

IUPACmethyl 2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1C
InChIInChI=1S/C8H9NO2/c1-6-7(8(10)11-2)4-3-5-9-6/h3-5H,1-2H3
InChIKeyKLHWBYHFWALOIJ-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.18
Rot. Bonds1

About methyl 2-methylpyridine-3-carboxylate

methyl 2-methylpyridine-3-carboxylate (PubChem CID 7015327) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is methyl 2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methylpyridine-3-carboxylate
PubChem CID7015327
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Namemethyl 2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1C
InChIInChI=1S/C8H9NO2/c1-6-7(8(10)11-2)4-3-5-9-6/h3-5H,1-2H3
InChIKeyKLHWBYHFWALOIJ-UHFFFAOYSA-N
XLogP1.18
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-methylpyridine-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

methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
N-methoxy-2-methylpyridine-3-carboxamide
CID 78950808
CID 87392386
CID 87392386
2-methylpyridine-3-carbonyl chloride;hydrochloride
CID 18321920
O-methyl 2-methylpyridine-3-carbothioate
CID 54538042
methyl 3-hydroxy-2-(2-methyl-3-pyridinyl)prop-2-enoate
CID 67860583
ethane;1-(2-methyl-3-pyridinyl)ethanone
CID 143815583
2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156
cyclohexane;methyl 2-chloropyridine-3-carboxylate
CID 175229380
methyl 2-(trimethylsilylamino)pyridine-3-carboxylate
CID 15121306
methyl 2-(N,S-dimethylsulfonimidoyl)pyridine-3-carboxylate
CID 125425019
methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride
CID 141197629

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 2-methylpyridine-3-carboxylate (CID 7015327) is methyl 2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-methylpyridine-3-carboxylate is COC(=O)c1cccnc1C.
What is the InChIKey of methyl 2-methylpyridine-3-carboxylate?
The InChIKey is KLHWBYHFWALOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6-7(8(10)11-2)4-3-5-9-6/h3-5H,1-2H3.
What are the key properties of methyl 2-methylpyridine-3-carboxylate?
methyl 2-methylpyridine-3-carboxylate has a molecular weight of 151.16 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylpyridine-3-carboxylate is sourced from PubChem (CID 7015327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).