methanol;methyl 2-methylpyridine-3-carboxylate

C9H13NO3 — CID 174704345

IUPACmethanol;methyl 2-methylpyridine-3-carboxylate
SMILESCO.COC(=O)c1cccnc1C
InChIInChI=1S/C8H9NO2.CH4O/c1-6-7(8(10)11-2)4-3-5-9-6;1-2/h3-5H,1-2H3;2H,1H3
InChIKeyBMGAJTCFOQXAJO-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.79
Rot. Bonds1

About methanol;methyl 2-methylpyridine-3-carboxylate

methanol;methyl 2-methylpyridine-3-carboxylate (PubChem CID 174704345) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is methanol;methyl 2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethanol;methyl 2-methylpyridine-3-carboxylate
PubChem CID174704345
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Namemethanol;methyl 2-methylpyridine-3-carboxylate
SMILESCO.COC(=O)c1cccnc1C
InChIInChI=1S/C8H9NO2.CH4O/c1-6-7(8(10)11-2)4-3-5-9-6;1-2/h3-5H,1-2H3;2H,1H3
InChIKeyBMGAJTCFOQXAJO-UHFFFAOYSA-N
XLogP0.79
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methylpyridine-3-carboxylate
CID 7015327
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 methanol;methyl 2-methylpyridine-3-carboxylate?
The IUPAC name of methanol;methyl 2-methylpyridine-3-carboxylate (CID 174704345) is methanol;methyl 2-methylpyridine-3-carboxylate.
What is the SMILES notation for methanol;methyl 2-methylpyridine-3-carboxylate?
The canonical SMILES for methanol;methyl 2-methylpyridine-3-carboxylate is CO.COC(=O)c1cccnc1C.
What is the InChIKey of methanol;methyl 2-methylpyridine-3-carboxylate?
The InChIKey is BMGAJTCFOQXAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.CH4O/c1-6-7(8(10)11-2)4-3-5-9-6;1-2/h3-5H,1-2H3;2H,1H3.
What are the key properties of methanol;methyl 2-methylpyridine-3-carboxylate?
methanol;methyl 2-methylpyridine-3-carboxylate has a molecular weight of 183.21 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methyl 2-methylpyridine-3-carboxylate is sourced from PubChem (CID 174704345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).