1-[(3,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid

C14H11F2NO3 — CID 82918916

IUPAC1-[(3,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2NO3/c1-8-2-4-10(14(19)20)13(18)17(8)7-9-3-5-11(15)12(16)6-9/h2-6H,7H2,1H3,(H,19,20)
InChIKeyVESJQBYSBDGXDH-UHFFFAOYSA-N
MW279.24 g/mol
LogP2.18
Rot. Bonds3

About 1-[(3,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid

1-[(3,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 82918916) has the molecular formula C14H11F2NO3 and a molecular weight of 279.24 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID82918916
Molecular FormulaC14H11F2NO3
Molecular Weight279.24 g/mol
Exact Mass279.07
IUPAC Name1-[(3,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2NO3/c1-8-2-4-10(14(19)20)13(18)17(8)7-9-3-5-11(15)12(16)6-9/h2-6H,7H2,1H3,(H,19,20)
InChIKeyVESJQBYSBDGXDH-UHFFFAOYSA-N
XLogP2.18
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-2-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 103047010
5-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]-2-fluorobenzoic acid
CID 107880943
4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-2-fluorobenzoic acid
CID 106698935
1-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 62875875
4-[(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)methyl]-2-fluorobenzoic acid
CID 106698847
1-[(2-bromophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 62876195
6-methyl-1-(2-methylprop-2-enyl)-2-oxopyridine-3-carboxylic acid
CID 62876183
3-acetyl-1-[(4-aminophenyl)methyl]-6-methylpyridin-2-one
CID 82151492
1-[(3-cyano-4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107887296
4-[(3-acetyl-6-methyl-2-oxo-1-pyridinyl)methyl]benzonitrile
CID 82064795
1-[(4-chlorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 29037309
6-methyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 62875870

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid (CID 82918916) is 1-[(3,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(=O)n1Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is VESJQBYSBDGXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3/c1-8-2-4-10(14(19)20)13(18)17(8)7-9-3-5-11(15)12(16)6-9/h2-6H,7H2,1H3,(H,19,20).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
1-[(3,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 279.24 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82918916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).