6,8-difluoroquinoline-3-carboxylic acid

C10H5F2NO2 — CID 22452302

IUPAC6,8-difluoroquinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2c(F)cc(F)cc2c1
InChIInChI=1S/C10H5F2NO2/c11-7-2-5-1-6(10(14)15)4-13-9(5)8(12)3-7/h1-4H,(H,14,15)
InChIKeyGCCSAZNSPKVNOB-UHFFFAOYSA-N
MW209.15 g/mol
LogP2.21
Rot. Bonds1

About 6,8-difluoroquinoline-3-carboxylic acid

6,8-difluoroquinoline-3-carboxylic acid (PubChem CID 22452302) has the molecular formula C10H5F2NO2 and a molecular weight of 209.15 g/mol. Its IUPAC name is 6,8-difluoroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6,8-difluoroquinoline-3-carboxylic acid
PubChem CID22452302
Molecular FormulaC10H5F2NO2
Molecular Weight209.15 g/mol
Exact Mass209.03
IUPAC Name6,8-difluoroquinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2c(F)cc(F)cc2c1
InChIInChI=1S/C10H5F2NO2/c11-7-2-5-1-6(10(14)15)4-13-9(5)8(12)3-7/h1-4H,(H,14,15)
InChIKeyGCCSAZNSPKVNOB-UHFFFAOYSA-N
XLogP2.21
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.15
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoroquinoline-3-carboxylic acid?
The IUPAC name of 6,8-difluoroquinoline-3-carboxylic acid (CID 22452302) is 6,8-difluoroquinoline-3-carboxylic acid.
What is the SMILES notation for 6,8-difluoroquinoline-3-carboxylic acid?
The canonical SMILES for 6,8-difluoroquinoline-3-carboxylic acid is O=C(O)c1cnc2c(F)cc(F)cc2c1.
What is the InChIKey of 6,8-difluoroquinoline-3-carboxylic acid?
The InChIKey is GCCSAZNSPKVNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2NO2/c11-7-2-5-1-6(10(14)15)4-13-9(5)8(12)3-7/h1-4H,(H,14,15).
What are the key properties of 6,8-difluoroquinoline-3-carboxylic acid?
6,8-difluoroquinoline-3-carboxylic acid has a molecular weight of 209.15 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoroquinoline-3-carboxylic acid is sourced from PubChem (CID 22452302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).