2-(3-chloro-4-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid

C12H7ClFNO3 — CID 82649694

IUPAC2-(3-chloro-4-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)c(Cl)c2)[nH]c(=O)c1
InChIInChI=1S/C12H7ClFNO3/c13-8-3-6(1-2-9(8)14)10-4-7(12(17)18)5-11(16)15-10/h1-5H,(H,15,16)(H,17,18)
InChIKeyWXFARAMLFRBQIP-UHFFFAOYSA-N
MW267.64 g/mol
LogP2.53
Rot. Bonds2

About 2-(3-chloro-4-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid

2-(3-chloro-4-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid (PubChem CID 82649694) has the molecular formula C12H7ClFNO3 and a molecular weight of 267.64 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid
PubChem CID82649694
Molecular FormulaC12H7ClFNO3
Molecular Weight267.64 g/mol
Exact Mass267.01
IUPAC Name2-(3-chloro-4-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)c(Cl)c2)[nH]c(=O)c1
InChIInChI=1S/C12H7ClFNO3/c13-8-3-6(1-2-9(8)14)10-4-7(12(17)18)5-11(16)15-10/h1-5H,(H,15,16)(H,17,18)
InChIKeyWXFARAMLFRBQIP-UHFFFAOYSA-N
XLogP2.53
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.64
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-Chlorophenyl)-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid
CID 11776853
2-Hydroxy-6-phenylpyridine-4-carboxylic acid
CID 18422120
6-(3-Chlorophenyl)-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid
CID 10264093
(E)-4-[(3-chlorophenyl)methylamino]-4-oxobut-2-enoic acid
CID 5702429
6-(3,5-dichlorophenyl)-3-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one
CID 146243620
2-(4-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 4674347
6-(3-Chloro-5-fluorophenyl)pyridin-2(1H)-one
CID 53217883
6-(3-Chloro-4-fluorophenyl)pyridin-2(1H)-one
CID 53217889
6-(3-chloro-4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 61651430
6-(3-chloro-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 61658773
6-(2,4-dichloro-5-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 61658944
1-[(3-Chloro-4-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 62532276

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid (CID 82649694) is 2-(3-chloro-4-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccc(F)c(Cl)c2)[nH]c(=O)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid?
The InChIKey is WXFARAMLFRBQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO3/c13-8-3-6(1-2-9(8)14)10-4-7(12(17)18)5-11(16)15-10/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid?
2-(3-chloro-4-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid has a molecular weight of 267.64 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 82649694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).