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

C12H7ClFNO3 — CID 82092366

IUPAC4-(3-chloro-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccc(F)c(Cl)c2)cc[nH]c1=O
InChIInChI=1S/C12H7ClFNO3/c13-8-5-6(1-2-9(8)14)7-3-4-15-11(16)10(7)12(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyCIBPVDPBCHWNOG-UHFFFAOYSA-N
MW267.64 g/mol
LogP2.53
Rot. Bonds2

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

4-(3-chloro-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 82092366) has the molecular formula C12H7ClFNO3 and a molecular weight of 267.64 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID82092366
Molecular FormulaC12H7ClFNO3
Molecular Weight267.64 g/mol
Exact Mass267.01
IUPAC Name4-(3-chloro-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccc(F)c(Cl)c2)cc[nH]c1=O
InChIInChI=1S/C12H7ClFNO3/c13-8-5-6(1-2-9(8)14)7-3-4-15-11(16)10(7)12(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyCIBPVDPBCHWNOG-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 82092366) is 4-(3-chloro-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1c(-c2ccc(F)c(Cl)c2)cc[nH]c1=O.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is CIBPVDPBCHWNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO3/c13-8-5-6(1-2-9(8)14)7-3-4-15-11(16)10(7)12(17)18/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 4-(3-chloro-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
4-(3-chloro-4-fluorophenyl)-2-oxo-1H-pyridine-3-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 4-(3-chloro-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 82092366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).