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

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Related Compounds

4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylic acid
CID 70010982
4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 10934616
4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid
CID 23636390
4-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylic acid
CID 70598090
6-chloro-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 134346812
4-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 175942227
7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10546084
ethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate
CID 70014598
2-benzyl-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 175115180
1-[3-[1-hydroxy-6-(2-hydroxypropan-2-yl)pyridin-1-ium-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 20805066
ethyl 4-oxo-1-pyridin-3-yl-1,8-naphthyridine-3-carboxylate
CID 12972530
1-(4-fluorophenyl)-4-oxo-N-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 70011453

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).