1-[2-chloro-4-(fluoromethyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

C16H10ClFN2O3 — CID 155679213

IUPAC1-[2-chloro-4-(fluoromethyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(CF)cc2Cl)c2ncccc2c1=O
InChIInChI=1S/C16H10ClFN2O3/c17-12-6-9(7-18)3-4-13(12)20-8-11(16(22)23)14(21)10-2-1-5-19-15(10)20/h1-6,8H,7H2,(H,22,23)
InChIKeyYUUUSSNSTRTABU-UHFFFAOYSA-N
MW332.72 g/mol
LogP3.21
Rot. Bonds3

About 1-[2-chloro-4-(fluoromethyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

1-[2-chloro-4-(fluoromethyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 155679213) has the molecular formula C16H10ClFN2O3 and a molecular weight of 332.72 g/mol. Its IUPAC name is 1-[2-chloro-4-(fluoromethyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-chloro-4-(fluoromethyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID155679213
Molecular FormulaC16H10ClFN2O3
Molecular Weight332.72 g/mol
Exact Mass332.04
IUPAC Name1-[2-chloro-4-(fluoromethyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(CF)cc2Cl)c2ncccc2c1=O
InChIInChI=1S/C16H10ClFN2O3/c17-12-6-9(7-18)3-4-13(12)20-8-11(16(22)23)14(21)10-2-1-5-19-15(10)20/h1-6,8H,7H2,(H,22,23)
InChIKeyYUUUSSNSTRTABU-UHFFFAOYSA-N
XLogP3.21
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.72
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-chloro-4-(fluoromethyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(fluoromethyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-[2-chloro-4-(fluoromethyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 155679213) is 1-[2-chloro-4-(fluoromethyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-chloro-4-(fluoromethyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-chloro-4-(fluoromethyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(-c2ccc(CF)cc2Cl)c2ncccc2c1=O.
What is the InChIKey of 1-[2-chloro-4-(fluoromethyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is YUUUSSNSTRTABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2O3/c17-12-6-9(7-18)3-4-13(12)20-8-11(16(22)23)14(21)10-2-1-5-19-15(10)20/h1-6,8H,7H2,(H,22,23).
What are the key properties of 1-[2-chloro-4-(fluoromethyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
1-[2-chloro-4-(fluoromethyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 332.72 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(fluoromethyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 155679213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).