methyl 2-methyl-4-oxo-1-phenylpyridine-3-carboxylate

C14H13NO3 — CID 22769956

IUPACmethyl 2-methyl-4-oxo-1-phenylpyridine-3-carboxylate
SMILESCOC(=O)c1c(C)n(-c2ccccc2)ccc1=O
InChIInChI=1S/C14H13NO3/c1-10-13(14(17)18-2)12(16)8-9-15(10)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyFCQAWKIUEAEROU-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.93
Rot. Bonds2

About methyl 2-methyl-4-oxo-1-phenylpyridine-3-carboxylate

methyl 2-methyl-4-oxo-1-phenylpyridine-3-carboxylate (PubChem CID 22769956) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 2-methyl-4-oxo-1-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-oxo-1-phenylpyridine-3-carboxylate
PubChem CID22769956
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 2-methyl-4-oxo-1-phenylpyridine-3-carboxylate
SMILESCOC(=O)c1c(C)n(-c2ccccc2)ccc1=O
InChIInChI=1S/C14H13NO3/c1-10-13(14(17)18-2)12(16)8-9-15(10)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyFCQAWKIUEAEROU-UHFFFAOYSA-N
XLogP1.93
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate
CID 38020965
methyl 4-chloro-1,2-dimethyl-5-phenylpyrrole-3-carboxylate
CID 91672505
2-methyl-1-phenylpyrrol-3-ol
CID 5324689
dimethyl 1,2,6-trimethyl-4-oxopyridine-3,5-dicarboxylate
CID 164905081
methyl 2-methoxy-3-methyl-1-oxoisoquinoline-4-carboxylate
CID 132525931
dimethyl 2,6-dioxo-1,3-diphenylpyrimidine-4,5-dicarboxylate
CID 134839740
methyl 5-bromo-6-oxo-1-phenylpyridine-3-carboxylate
CID 22318950
methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 14611450
4-methyl-2-oxo-1-phenylpyridine-3-carboxamide
CID 175789879
methyl 8-amino-3-methyl-1-oxo-2-phenylisoquinoline-4-carboxylate
CID 67132488
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-oxo-1-phenylpyridine-3-carboxylate?
The IUPAC name of methyl 2-methyl-4-oxo-1-phenylpyridine-3-carboxylate (CID 22769956) is methyl 2-methyl-4-oxo-1-phenylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-oxo-1-phenylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-4-oxo-1-phenylpyridine-3-carboxylate is COC(=O)c1c(C)n(-c2ccccc2)ccc1=O.
What is the InChIKey of methyl 2-methyl-4-oxo-1-phenylpyridine-3-carboxylate?
The InChIKey is FCQAWKIUEAEROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-10-13(14(17)18-2)12(16)8-9-15(10)11-6-4-3-5-7-11/h3-9H,1-2H3.
What are the key properties of methyl 2-methyl-4-oxo-1-phenylpyridine-3-carboxylate?
methyl 2-methyl-4-oxo-1-phenylpyridine-3-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-oxo-1-phenylpyridine-3-carboxylate is sourced from PubChem (CID 22769956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).