2,6,7-trichloroquinoline-3-carboxylic acid

C10H4Cl3NO2 — CID 22341156

IUPAC2,6,7-trichloroquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2cc(Cl)c(Cl)cc2nc1Cl
InChIInChI=1S/C10H4Cl3NO2/c11-6-2-4-1-5(10(15)16)9(13)14-8(4)3-7(6)12/h1-3H,(H,15,16)
InChIKeyDDTARUCFPQEFCF-UHFFFAOYSA-N
MW276.51 g/mol
LogP3.89
Rot. Bonds1

About 2,6,7-trichloroquinoline-3-carboxylic acid

2,6,7-trichloroquinoline-3-carboxylic acid (PubChem CID 22341156) has the molecular formula C10H4Cl3NO2 and a molecular weight of 276.51 g/mol. Its IUPAC name is 2,6,7-trichloroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2,6,7-trichloroquinoline-3-carboxylic acid
PubChem CID22341156
Molecular FormulaC10H4Cl3NO2
Molecular Weight276.51 g/mol
Exact Mass274.93
IUPAC Name2,6,7-trichloroquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2cc(Cl)c(Cl)cc2nc1Cl
InChIInChI=1S/C10H4Cl3NO2/c11-6-2-4-1-5(10(15)16)9(13)14-8(4)3-7(6)12/h1-3H,(H,15,16)
InChIKeyDDTARUCFPQEFCF-UHFFFAOYSA-N
XLogP3.89
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,6,7-trichloroquinoline-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

Related Compounds

2-chloro-6-(trifluoromethyl)quinoline-3-carboxylic acid
CID 86645339
2-chloro-5,7-difluoroquinoline-3-carboxylic acid
CID 114553227
2,7-dichloro-3-methylquinoline-6-carbonyl chloride
CID 156830699
2-chloro-6,7,8-trifluoroquinoline-3-carboxylic acid
CID 54351265
2-chloro-6-fluoro-8-methylquinoline-3-carboxylic acid
CID 114553225
6-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 83668537
2,5-dichloro-6-cyanopyridine-3-carboxylic acid
CID 129097662
2,6-dichloro-5-fluoropyridine-3-carboxylic acid;pyridine
CID 23129198
6-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 169264396
2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylic acid
CID 2749573
3-chloronaphthalene-2-carboxylic acid;hydrochloride
CID 69376423
2-chloro-5-(trifluoromethyl)quinoline-3-carboxylic acid
CID 87479875

Frequently Asked Questions

What is the IUPAC name of 2,6,7-trichloroquinoline-3-carboxylic acid?
The IUPAC name of 2,6,7-trichloroquinoline-3-carboxylic acid (CID 22341156) is 2,6,7-trichloroquinoline-3-carboxylic acid.
What is the SMILES notation for 2,6,7-trichloroquinoline-3-carboxylic acid?
The canonical SMILES for 2,6,7-trichloroquinoline-3-carboxylic acid is O=C(O)c1cc2cc(Cl)c(Cl)cc2nc1Cl.
What is the InChIKey of 2,6,7-trichloroquinoline-3-carboxylic acid?
The InChIKey is DDTARUCFPQEFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl3NO2/c11-6-2-4-1-5(10(15)16)9(13)14-8(4)3-7(6)12/h1-3H,(H,15,16).
What are the key properties of 2,6,7-trichloroquinoline-3-carboxylic acid?
2,6,7-trichloroquinoline-3-carboxylic acid has a molecular weight of 276.51 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trichloroquinoline-3-carboxylic acid is sourced from PubChem (CID 22341156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).