2-chloro-5,7-difluoroquinoline-3-carboxylic acid

C10H4ClF2NO2 — CID 114553227

IUPAC2-chloro-5,7-difluoroquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2c(F)cc(F)cc2nc1Cl
InChIInChI=1S/C10H4ClF2NO2/c11-9-6(10(15)16)3-5-7(13)1-4(12)2-8(5)14-9/h1-3H,(H,15,16)
InChIKeyYXUJFEIBMDTNMI-UHFFFAOYSA-N
MW243.60 g/mol
LogP2.86
Rot. Bonds1

About 2-chloro-5,7-difluoroquinoline-3-carboxylic acid

2-chloro-5,7-difluoroquinoline-3-carboxylic acid (PubChem CID 114553227) has the molecular formula C10H4ClF2NO2 and a molecular weight of 243.60 g/mol. Its IUPAC name is 2-chloro-5,7-difluoroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5,7-difluoroquinoline-3-carboxylic acid
PubChem CID114553227
Molecular FormulaC10H4ClF2NO2
Molecular Weight243.60 g/mol
Exact Mass242.99
IUPAC Name2-chloro-5,7-difluoroquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2c(F)cc(F)cc2nc1Cl
InChIInChI=1S/C10H4ClF2NO2/c11-9-6(10(15)16)3-5-7(13)1-4(12)2-8(5)14-9/h1-3H,(H,15,16)
InChIKeyYXUJFEIBMDTNMI-UHFFFAOYSA-N
XLogP2.86
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.60
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6,7-trichloroquinoline-3-carboxylic acid
CID 22341156
3-tert-butyl-2-chloro-5,7-difluoroquinoline
CID 55185283
2-chloro-5-(trifluoromethyl)quinoline-3-carboxylic acid
CID 87479875
2-chloro-6-fluoro-8-methylquinoline-3-carboxylic acid
CID 114553225
2,6-dichloro-5-fluoropyridine-3-carboxylic acid;pyridine
CID 23129198
2-chloro-6,7,8-trifluoroquinoline-3-carboxylic acid
CID 54351265
4-chloro-5,7-difluoroquinoline-2-carboxylic acid
CID 63375740
2,3-dichloro-5,7-difluoroquinoxaline
CID 82184445
8-bromo-2-chloro-6-fluoroquinoline-4-carboxylic acid
CID 82184176
2-carbamoyl-5,7-difluoroquinoline-4-carboxylic acid
CID 118171252
2-chloro-6-(trifluoromethyl)quinoline-3-carboxylic acid
CID 86645339
2-bromo-7-fluoroquinoline-4-carboxylic acid
CID 82184189

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,7-difluoroquinoline-3-carboxylic acid?
The IUPAC name of 2-chloro-5,7-difluoroquinoline-3-carboxylic acid (CID 114553227) is 2-chloro-5,7-difluoroquinoline-3-carboxylic acid.
What is the SMILES notation for 2-chloro-5,7-difluoroquinoline-3-carboxylic acid?
The canonical SMILES for 2-chloro-5,7-difluoroquinoline-3-carboxylic acid is O=C(O)c1cc2c(F)cc(F)cc2nc1Cl.
What is the InChIKey of 2-chloro-5,7-difluoroquinoline-3-carboxylic acid?
The InChIKey is YXUJFEIBMDTNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF2NO2/c11-9-6(10(15)16)3-5-7(13)1-4(12)2-8(5)14-9/h1-3H,(H,15,16).
What are the key properties of 2-chloro-5,7-difluoroquinoline-3-carboxylic acid?
2-chloro-5,7-difluoroquinoline-3-carboxylic acid has a molecular weight of 243.60 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,7-difluoroquinoline-3-carboxylic acid is sourced from PubChem (CID 114553227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).