2-chloro-6,7,8-trifluoroquinoline-3-carboxylic acid

C10H3ClF3NO2 — CID 54351265

IUPAC2-chloro-6,7,8-trifluoroquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2cc(F)c(F)c(F)c2nc1Cl
InChIInChI=1S/C10H3ClF3NO2/c11-9-4(10(16)17)1-3-2-5(12)6(13)7(14)8(3)15-9/h1-2H,(H,16,17)
InChIKeyUFYJJHKXRUPOPX-UHFFFAOYSA-N
MW261.59 g/mol
LogP3.00
Rot. Bonds1

About 2-chloro-6,7,8-trifluoroquinoline-3-carboxylic acid

2-chloro-6,7,8-trifluoroquinoline-3-carboxylic acid (PubChem CID 54351265) has the molecular formula C10H3ClF3NO2 and a molecular weight of 261.59 g/mol. Its IUPAC name is 2-chloro-6,7,8-trifluoroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6,7,8-trifluoroquinoline-3-carboxylic acid
PubChem CID54351265
Molecular FormulaC10H3ClF3NO2
Molecular Weight261.59 g/mol
Exact Mass260.98
IUPAC Name2-chloro-6,7,8-trifluoroquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2cc(F)c(F)c(F)c2nc1Cl
InChIInChI=1S/C10H3ClF3NO2/c11-9-4(10(16)17)1-3-2-5(12)6(13)7(14)8(3)15-9/h1-2H,(H,16,17)
InChIKeyUFYJJHKXRUPOPX-UHFFFAOYSA-N
XLogP3.00
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.59
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6,7,8-trifluoro-2-methoxyquinoline-3-carboxylic acid
CID 165460373
2-chloro-6-fluoro-8-methylquinoline-3-carboxylic acid
CID 114553225
2,6,7-trichloroquinoline-3-carboxylic acid
CID 22341156
2,6-dichloro-5-fluoropyridine-3-carboxylic acid;pyridine
CID 23129198
4-chloro-6,7,8-trifluoroquinoline-2-carboxylic acid
CID 55184890
2-chloro-5,7-difluoroquinoline-3-carboxylic acid
CID 114553227
2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride
CID 175062708
2-chloro-6-(trifluoromethyl)quinoline-3-carboxylic acid
CID 86645339
6,7,8-trifluoro-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690298
2-amino-6-chloro-5-fluoropyridine-3-carboxylic acid
CID 165124028
6-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 83668537
4-chloro-2-(2,3,4-trifluorophenyl)benzoic acid
CID 114024694

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7,8-trifluoroquinoline-3-carboxylic acid?
The IUPAC name of 2-chloro-6,7,8-trifluoroquinoline-3-carboxylic acid (CID 54351265) is 2-chloro-6,7,8-trifluoroquinoline-3-carboxylic acid.
What is the SMILES notation for 2-chloro-6,7,8-trifluoroquinoline-3-carboxylic acid?
The canonical SMILES for 2-chloro-6,7,8-trifluoroquinoline-3-carboxylic acid is O=C(O)c1cc2cc(F)c(F)c(F)c2nc1Cl.
What is the InChIKey of 2-chloro-6,7,8-trifluoroquinoline-3-carboxylic acid?
The InChIKey is UFYJJHKXRUPOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3ClF3NO2/c11-9-4(10(16)17)1-3-2-5(12)6(13)7(14)8(3)15-9/h1-2H,(H,16,17).
What are the key properties of 2-chloro-6,7,8-trifluoroquinoline-3-carboxylic acid?
2-chloro-6,7,8-trifluoroquinoline-3-carboxylic acid has a molecular weight of 261.59 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7,8-trifluoroquinoline-3-carboxylic acid is sourced from PubChem (CID 54351265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).