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

C13H9ClFNO3 — CID 103038423

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(Cc2ccc(F)c(Cl)c2)c1=O
InChIInChI=1S/C13H9ClFNO3/c14-10-6-8(3-4-11(10)15)7-16-5-1-2-9(12(16)17)13(18)19/h1-6H,7H2,(H,18,19)
InChIKeyPRCMYNLLCLRXQU-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.39
Rot. Bonds3

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

1-[(3-chloro-4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 103038423) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid
PubChem CID103038423
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(Cc2ccc(F)c(Cl)c2)c1=O
InChIInChI=1S/C13H9ClFNO3/c14-10-6-8(3-4-11(10)15)7-16-5-1-2-9(12(16)17)13(18)19/h1-6H,7H2,(H,18,19)
InChIKeyPRCMYNLLCLRXQU-UHFFFAOYSA-N
XLogP2.39
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid (CID 103038423) is 1-[(3-chloro-4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid is O=C(O)c1cccn(Cc2ccc(F)c(Cl)c2)c1=O.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is PRCMYNLLCLRXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c14-10-6-8(3-4-11(10)15)7-16-5-1-2-9(12(16)17)13(18)19/h1-6H,7H2,(H,18,19).
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid?
1-[(3-chloro-4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 281.67 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 103038423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).