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

C10H3ClF3NO2 — CID 55184890

IUPAC4-chloro-6,7,8-trifluoroquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)c2cc(F)c(F)c(F)c2n1
InChIInChI=1S/C10H3ClF3NO2/c11-4-2-6(10(16)17)15-9-3(4)1-5(12)7(13)8(9)14/h1-2H,(H,16,17)
InChIKeyGMOQEMCSVFECMJ-UHFFFAOYSA-N
MW261.59 g/mol
LogP3.00
Rot. Bonds1

About 4-chloro-6,7,8-trifluoroquinoline-2-carboxylic acid

4-chloro-6,7,8-trifluoroquinoline-2-carboxylic acid (PubChem CID 55184890) has the molecular formula C10H3ClF3NO2 and a molecular weight of 261.59 g/mol. Its IUPAC name is 4-chloro-6,7,8-trifluoroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-6,7,8-trifluoroquinoline-2-carboxylic acid
PubChem CID55184890
Molecular FormulaC10H3ClF3NO2
Molecular Weight261.59 g/mol
Exact Mass260.98
IUPAC Name4-chloro-6,7,8-trifluoroquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)c2cc(F)c(F)c(F)c2n1
InChIInChI=1S/C10H3ClF3NO2/c11-4-2-6(10(16)17)15-9-3(4)1-5(12)7(13)8(9)14/h1-2H,(H,16,17)
InChIKeyGMOQEMCSVFECMJ-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': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6,7,8-trifluoro-4-methoxyquinoline-2-carboxylic acid
CID 102941991
4-chloro-6-fluoro-8-methylquinoline-2-carboxylic acid
CID 63376825
4-chloro-6,7,8-trifluoro-2-methylquinoline
CID 15151234
1-(6,7,8-trifluoro-4-methylquinolin-2-yl)ethanone
CID 82576215
4,7-dichloroquinoline-2-carboxylic acid
CID 21426380
4,5,8-trichloroquinoline-2-carboxylic acid
CID 63376315
4,5,7-trichloro-6-fluoroquinoline-2-carboxylic acid
CID 107579516
2-chloro-6,7,8-trifluoroquinoline-3-carboxylic acid
CID 54351265
4-chloro-5,7-difluoroquinoline-2-carboxylic acid
CID 63375740
methyl 4,8-dichloro-7-fluoroquinoline-2-carboxylate
CID 171157588
methyl 4-chloro-6,7-difluoroquinoline-2-carboxylate
CID 63376942
5,8-dibromo-4-chloroquinoline-2-carboxylic acid
CID 63376797

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7,8-trifluoroquinoline-2-carboxylic acid?
The IUPAC name of 4-chloro-6,7,8-trifluoroquinoline-2-carboxylic acid (CID 55184890) is 4-chloro-6,7,8-trifluoroquinoline-2-carboxylic acid.
What is the SMILES notation for 4-chloro-6,7,8-trifluoroquinoline-2-carboxylic acid?
The canonical SMILES for 4-chloro-6,7,8-trifluoroquinoline-2-carboxylic acid is O=C(O)c1cc(Cl)c2cc(F)c(F)c(F)c2n1.
What is the InChIKey of 4-chloro-6,7,8-trifluoroquinoline-2-carboxylic acid?
The InChIKey is GMOQEMCSVFECMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3ClF3NO2/c11-4-2-6(10(16)17)15-9-3(4)1-5(12)7(13)8(9)14/h1-2H,(H,16,17).
What are the key properties of 4-chloro-6,7,8-trifluoroquinoline-2-carboxylic acid?
4-chloro-6,7,8-trifluoroquinoline-2-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 4-chloro-6,7,8-trifluoroquinoline-2-carboxylic acid is sourced from PubChem (CID 55184890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).