4,5,7-trichloro-6-fluoroquinoline-2-carboxylic acid

C10H3Cl3FNO2 — CID 107579516

IUPAC4,5,7-trichloro-6-fluoroquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)c2c(Cl)c(F)c(Cl)cc2n1
InChIInChI=1S/C10H3Cl3FNO2/c11-3-1-6(10(16)17)15-5-2-4(12)9(14)8(13)7(3)5/h1-2H,(H,16,17)
InChIKeyJXCDAPRNVIOIQG-UHFFFAOYSA-N
MW294.50 g/mol
LogP4.03
Rot. Bonds1

About 4,5,7-trichloro-6-fluoroquinoline-2-carboxylic acid

4,5,7-trichloro-6-fluoroquinoline-2-carboxylic acid (PubChem CID 107579516) has the molecular formula C10H3Cl3FNO2 and a molecular weight of 294.50 g/mol. Its IUPAC name is 4,5,7-trichloro-6-fluoroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name4,5,7-trichloro-6-fluoroquinoline-2-carboxylic acid
PubChem CID107579516
Molecular FormulaC10H3Cl3FNO2
Molecular Weight294.50 g/mol
Exact Mass292.92
IUPAC Name4,5,7-trichloro-6-fluoroquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)c2c(Cl)c(F)c(Cl)cc2n1
InChIInChI=1S/C10H3Cl3FNO2/c11-3-1-6(10(16)17)15-5-2-4(12)9(14)8(13)7(3)5/h1-2H,(H,16,17)
InChIKeyJXCDAPRNVIOIQG-UHFFFAOYSA-N
XLogP4.03
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.50
LogP ≤ 54.03
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

4-chloro-5,7-difluoroquinoline-2-carboxylic acid
CID 63375740
4-chloro-7-fluoro-5-methylquinoline-2-carboxylic acid
CID 79046961
5,7-dichloro-6-fluoroquinoline-4-carboxylic acid
CID 107584360
4,5,8-trichloroquinoline-2-carboxylic acid
CID 63376315
4-chloro-6,7,8-trifluoroquinoline-2-carboxylic acid
CID 55184890
4,5,7-trichloro-6-fluoro-2-propylquinoline
CID 107577483
4,5,6-trichloropyridine-2-carbonyl chloride;4,5,6-trichloropyridine-2-carboxylic acid
CID 157467811
4,7-dichloroquinoline-2-carboxylic acid
CID 21426380
2,4-dichloro-3,6-difluorobenzoic acid
CID 142663367
5,8-dibromo-4-chloroquinoline-2-carboxylic acid
CID 63376797
8-bromo-4,5-dichloro-6-methylquinoline-2-carboxylic acid
CID 104725291
2,3,5-trichloro-6-fluorobenzoic acid
CID 142663386

Frequently Asked Questions

What is the IUPAC name of 4,5,7-trichloro-6-fluoroquinoline-2-carboxylic acid?
The IUPAC name of 4,5,7-trichloro-6-fluoroquinoline-2-carboxylic acid (CID 107579516) is 4,5,7-trichloro-6-fluoroquinoline-2-carboxylic acid.
What is the SMILES notation for 4,5,7-trichloro-6-fluoroquinoline-2-carboxylic acid?
The canonical SMILES for 4,5,7-trichloro-6-fluoroquinoline-2-carboxylic acid is O=C(O)c1cc(Cl)c2c(Cl)c(F)c(Cl)cc2n1.
What is the InChIKey of 4,5,7-trichloro-6-fluoroquinoline-2-carboxylic acid?
The InChIKey is JXCDAPRNVIOIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3Cl3FNO2/c11-3-1-6(10(16)17)15-5-2-4(12)9(14)8(13)7(3)5/h1-2H,(H,16,17).
What are the key properties of 4,5,7-trichloro-6-fluoroquinoline-2-carboxylic acid?
4,5,7-trichloro-6-fluoroquinoline-2-carboxylic acid has a molecular weight of 294.50 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7-trichloro-6-fluoroquinoline-2-carboxylic acid is sourced from PubChem (CID 107579516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).