1-(2-chloro-4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid

C13H9ClFNO3 — CID 66968919

IUPAC1-(2-chloro-4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1-c1ccc(F)cc1Cl
InChIInChI=1S/C13H9ClFNO3/c1-7-2-4-9(13(18)19)12(17)16(7)11-5-3-8(15)6-10(11)14/h2-6H,1H3,(H,18,19)
InChIKeyKNDHMLNIYKXXRU-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.64
Rot. Bonds2

About 1-(2-chloro-4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid

1-(2-chloro-4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 66968919) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID66968919
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC Name1-(2-chloro-4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1-c1ccc(F)cc1Cl
InChIInChI=1S/C13H9ClFNO3/c1-7-2-4-9(13(18)19)12(17)16(7)11-5-3-8(15)6-10(11)14/h2-6H,1H3,(H,18,19)
InChIKeyKNDHMLNIYKXXRU-UHFFFAOYSA-N
XLogP2.64
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid (CID 66968919) is 1-(2-chloro-4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(=O)n1-c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is KNDHMLNIYKXXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c1-7-2-4-9(13(18)19)12(17)16(7)11-5-3-8(15)6-10(11)14/h2-6H,1H3,(H,18,19).
What are the key properties of 1-(2-chloro-4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
1-(2-chloro-4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 281.67 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 66968919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).