methyl 6-(2-methylphenyl)pyridine-2-carboxylate

C14H13NO2 — CID 117222230

IUPACmethyl 6-(2-methylphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2ccccc2C)n1
InChIInChI=1S/C14H13NO2/c1-10-6-3-4-7-11(10)12-8-5-9-13(15-12)14(16)17-2/h3-9H,1-2H3
InChIKeyBDJCWHKVCKDWQY-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.84
Rot. Bonds2

About methyl 6-(2-methylphenyl)pyridine-2-carboxylate

methyl 6-(2-methylphenyl)pyridine-2-carboxylate (PubChem CID 117222230) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 6-(2-methylphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-methylphenyl)pyridine-2-carboxylate
PubChem CID117222230
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Namemethyl 6-(2-methylphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2ccccc2C)n1
InChIInChI=1S/C14H13NO2/c1-10-6-3-4-7-11(10)12-8-5-9-13(15-12)14(16)17-2/h3-9H,1-2H3
InChIKeyBDJCWHKVCKDWQY-UHFFFAOYSA-N
XLogP2.84
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylate
CID 118173164
methyl 3-hydroxy-6-(2-methylphenyl)pyridine-2-carboxylate
CID 102311394
methyl 6-(2-methylphenyl)pyrimidine-4-carboxylate
CID 122239270
methyl 6-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyridine-2-carboxylate
CID 58774798
methyl 6-pyridin-4-ylpyridine-2-carboxylate
CID 46317482
methyl 6-acetylpyridine-2-carboxylate
CID 11412711
methyl 6-[2-fluoro-3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 150262040
methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate
CID 68519685
6-(2-methylphenyl)-N-[6-(2-methylphenyl)-2-pyridinyl]pyridin-2-amine
CID 71110099
methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate
CID 11394687
2-(2,3-dimethylphenyl)-6-(2-methylphenyl)pyridine
CID 123263739
methyl 6-(2-fluoro-5-prop-1-enylphenyl)pyridine-2-carboxylate
CID 67130742

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-methylphenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(2-methylphenyl)pyridine-2-carboxylate (CID 117222230) is methyl 6-(2-methylphenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(2-methylphenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(2-methylphenyl)pyridine-2-carboxylate is COC(=O)c1cccc(-c2ccccc2C)n1.
What is the InChIKey of methyl 6-(2-methylphenyl)pyridine-2-carboxylate?
The InChIKey is BDJCWHKVCKDWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10-6-3-4-7-11(10)12-8-5-9-13(15-12)14(16)17-2/h3-9H,1-2H3.
What are the key properties of methyl 6-(2-methylphenyl)pyridine-2-carboxylate?
methyl 6-(2-methylphenyl)pyridine-2-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-methylphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 117222230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).