5,7-dichloro-6-fluoroquinoline-4-carboxylic acid

C10H4Cl2FNO2 — CID 107584360

IUPAC5,7-dichloro-6-fluoroquinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2cc(Cl)c(F)c(Cl)c12
InChIInChI=1S/C10H4Cl2FNO2/c11-5-3-6-7(8(12)9(5)13)4(10(15)16)1-2-14-6/h1-3H,(H,15,16)
InChIKeyOQCPWLAMKDZKHR-UHFFFAOYSA-N
MW260.05 g/mol
LogP3.38
Rot. Bonds1

About 5,7-dichloro-6-fluoroquinoline-4-carboxylic acid

5,7-dichloro-6-fluoroquinoline-4-carboxylic acid (PubChem CID 107584360) has the molecular formula C10H4Cl2FNO2 and a molecular weight of 260.05 g/mol. Its IUPAC name is 5,7-dichloro-6-fluoroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name5,7-dichloro-6-fluoroquinoline-4-carboxylic acid
PubChem CID107584360
Molecular FormulaC10H4Cl2FNO2
Molecular Weight260.05 g/mol
Exact Mass258.96
IUPAC Name5,7-dichloro-6-fluoroquinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2cc(Cl)c(F)c(Cl)c12
InChIInChI=1S/C10H4Cl2FNO2/c11-5-3-6-7(8(12)9(5)13)4(10(15)16)1-2-14-6/h1-3H,(H,15,16)
InChIKeyOQCPWLAMKDZKHR-UHFFFAOYSA-N
XLogP3.38
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.05
LogP ≤ 53.38
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

5,6,8-trifluoroquinoline-4-carboxylic acid
CID 102941779
4,5,7-trichloro-6-fluoroquinoline-2-carboxylic acid
CID 107579516
2-fluoro-3-(2,4,6-trichlorophenyl)pyridine-4-carboxylic acid
CID 133090252
2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)pyridine-4-carboxylic acid
CID 133089976
6-chloro-7-hydroxyquinoline-4-carboxylic acid
CID 165460215
7-fluoroquinoline-4-carboxylic acid
CID 18475507
3-chloropyridine-2,4-dicarboxylic acid
CID 134247663
lithium;2,3-dichloropyridine-4-carboxylic acid;hydride
CID 174387872
2-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine-4-carboxylic acid
CID 118853209
2,4,5-trichloro-3-fluorobenzoic acid
CID 23173056
2-chloro-3-formylpyridine-4-carboxylic acid
CID 70700634
2,4-dichloro-3,6-difluorobenzoic acid
CID 142663367

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-fluoroquinoline-4-carboxylic acid?
The IUPAC name of 5,7-dichloro-6-fluoroquinoline-4-carboxylic acid (CID 107584360) is 5,7-dichloro-6-fluoroquinoline-4-carboxylic acid.
What is the SMILES notation for 5,7-dichloro-6-fluoroquinoline-4-carboxylic acid?
The canonical SMILES for 5,7-dichloro-6-fluoroquinoline-4-carboxylic acid is O=C(O)c1ccnc2cc(Cl)c(F)c(Cl)c12.
What is the InChIKey of 5,7-dichloro-6-fluoroquinoline-4-carboxylic acid?
The InChIKey is OQCPWLAMKDZKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2FNO2/c11-5-3-6-7(8(12)9(5)13)4(10(15)16)1-2-14-6/h1-3H,(H,15,16).
What are the key properties of 5,7-dichloro-6-fluoroquinoline-4-carboxylic acid?
5,7-dichloro-6-fluoroquinoline-4-carboxylic acid has a molecular weight of 260.05 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-fluoroquinoline-4-carboxylic acid is sourced from PubChem (CID 107584360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).