methyl 3-methyl-6-phenylpyridine-2-carboxylate

C14H13NO2 — CID 118174962

IUPACmethyl 3-methyl-6-phenylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccccc2)ccc1C
InChIInChI=1S/C14H13NO2/c1-10-8-9-12(11-6-4-3-5-7-11)15-13(10)14(16)17-2/h3-9H,1-2H3
InChIKeyMNPITYXPNQFVKK-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.84
Rot. Bonds2

About methyl 3-methyl-6-phenylpyridine-2-carboxylate

methyl 3-methyl-6-phenylpyridine-2-carboxylate (PubChem CID 118174962) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 3-methyl-6-phenylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-6-phenylpyridine-2-carboxylate
PubChem CID118174962
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Namemethyl 3-methyl-6-phenylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccccc2)ccc1C
InChIInChI=1S/C14H13NO2/c1-10-8-9-12(11-6-4-3-5-7-11)15-13(10)14(16)17-2/h3-9H,1-2H3
InChIKeyMNPITYXPNQFVKK-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

3-methyl-6-phenylpyridine-2-carboxylic acid
CID 71435914
methyl 6-(3-ethynylphenyl)-3-methylpyridine-2-carboxylate
CID 144793747
methyl 5,8-dimethyl-2-phenyl-1,7-naphthyridine-6-carboxylate
CID 177153656
methyl 5-hydroxy-8-methyl-2-phenyl-1,7-naphthyridine-6-carboxylate
CID 140866878
ethane;methyl 6-bromo-3-methylpyridine-2-carboxylate
CID 169269843
methyl 3-hydroxy-6-(2-methylphenyl)pyridine-2-carboxylate
CID 102311394
methyl 6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate
CID 121251044
methyl 2,6-dimethyl-4-phenylbenzoate
CID 10376998
dimethyl cyclohepta[b]pyrrole-2,3-dicarboxylate
CID 15202117
methyl 3-methyl-2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate
CID 86997310
dimethyl 6-methyl-4-phenylpyridine-2,3-dicarboxylate
CID 102083837
methyl 4-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate
CID 27873719

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-6-phenylpyridine-2-carboxylate?
The IUPAC name of methyl 3-methyl-6-phenylpyridine-2-carboxylate (CID 118174962) is methyl 3-methyl-6-phenylpyridine-2-carboxylate.
What is the SMILES notation for methyl 3-methyl-6-phenylpyridine-2-carboxylate?
The canonical SMILES for methyl 3-methyl-6-phenylpyridine-2-carboxylate is COC(=O)c1nc(-c2ccccc2)ccc1C.
What is the InChIKey of methyl 3-methyl-6-phenylpyridine-2-carboxylate?
The InChIKey is MNPITYXPNQFVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10-8-9-12(11-6-4-3-5-7-11)15-13(10)14(16)17-2/h3-9H,1-2H3.
What are the key properties of methyl 3-methyl-6-phenylpyridine-2-carboxylate?
methyl 3-methyl-6-phenylpyridine-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 3-methyl-6-phenylpyridine-2-carboxylate is sourced from PubChem (CID 118174962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).