6-chloro-4-oxo-6H-quinoline-2-carboxylic acid

C10H6ClNO3 — CID 76845603

IUPAC6-chloro-4-oxo-6H-quinoline-2-carboxylic acid
SMILESO=C(O)C1=CC(=O)C2=CC(Cl)C=CC2=N1
InChIInChI=1S/C10H6ClNO3/c11-5-1-2-7-6(3-5)9(13)4-8(12-7)10(14)15/h1-5H,(H,14,15)
InChIKeyJOGCCPYSIITMFB-UHFFFAOYSA-N
MW223.62 g/mol
LogP1.08
Rot. Bonds1

About 6-chloro-4-oxo-6H-quinoline-2-carboxylic acid

6-chloro-4-oxo-6H-quinoline-2-carboxylic acid (PubChem CID 76845603) has the molecular formula C10H6ClNO3 and a molecular weight of 223.62 g/mol. Its IUPAC name is 6-chloro-4-oxo-6H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-oxo-6H-quinoline-2-carboxylic acid
PubChem CID76845603
Molecular FormulaC10H6ClNO3
Molecular Weight223.62 g/mol
Exact Mass223.00
IUPAC Name6-chloro-4-oxo-6H-quinoline-2-carboxylic acid
SMILESO=C(O)C1=CC(=O)C2=CC(Cl)C=CC2=N1
InChIInChI=1S/C10H6ClNO3/c11-5-1-2-7-6(3-5)9(13)4-8(12-7)10(14)15/h1-5H,(H,14,15)
InChIKeyJOGCCPYSIITMFB-UHFFFAOYSA-N
XLogP1.08
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-(chloromethyl)-6H-quinolin-4-one
CID 73403338
6-chloro-4-oxo-6H-quinazoline-2-carboxylic acid
CID 74010932
dimethyl 4-oxo-6H-quinoline-2,6-dicarboxylate
CID 73307025
6-chloro-3-morpholin-4-yl-4-phenyl-6H-quinolin-2-one
CID 78204459
6-chloro-2-cyclohexylimino-6H-quinazolin-4-one
CID 136995848
4-chloro-6-nitro-6H-quinolin-2-one
CID 76845380
(3aS)-7-chloro-3aH-pyrrolo[2,3-c]pyridine-2-carboxylic acid
CID 125421367
6-chloro-3-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)-4-phenyl-6H-quinolin-2-one
CID 156591367
5-methylidene-4-oxopyridine-2-carboxylic acid;hydrobromide
CID 138058898
4H-azepine-2,7-dicarboxylic acid
CID 142986724
3-oxo-8aH-quinoline-2-carboxylic acid
CID 57203361
6,8-dichloro-2-methyl-8H-quinolin-4-one
CID 76844816

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-oxo-6H-quinoline-2-carboxylic acid?
The IUPAC name of 6-chloro-4-oxo-6H-quinoline-2-carboxylic acid (CID 76845603) is 6-chloro-4-oxo-6H-quinoline-2-carboxylic acid.
What is the SMILES notation for 6-chloro-4-oxo-6H-quinoline-2-carboxylic acid?
The canonical SMILES for 6-chloro-4-oxo-6H-quinoline-2-carboxylic acid is O=C(O)C1=CC(=O)C2=CC(Cl)C=CC2=N1.
What is the InChIKey of 6-chloro-4-oxo-6H-quinoline-2-carboxylic acid?
The InChIKey is JOGCCPYSIITMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO3/c11-5-1-2-7-6(3-5)9(13)4-8(12-7)10(14)15/h1-5H,(H,14,15).
What are the key properties of 6-chloro-4-oxo-6H-quinoline-2-carboxylic acid?
6-chloro-4-oxo-6H-quinoline-2-carboxylic acid has a molecular weight of 223.62 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-oxo-6H-quinoline-2-carboxylic acid is sourced from PubChem (CID 76845603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).