8-fluoro-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid

C15H8F2N2O2 — CID 83119404

IUPAC8-fluoro-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cn2)nc2c(F)cccc12
InChIInChI=1S/C15H8F2N2O2/c16-8-4-5-12(18-7-8)13-6-10(15(20)21)9-2-1-3-11(17)14(9)19-13/h1-7H,(H,20,21)
InChIKeyFRNVRPVIVRYBBG-UHFFFAOYSA-N
MW286.24 g/mol
LogP3.27
Rot. Bonds2

About 8-fluoro-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid

8-fluoro-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid (PubChem CID 83119404) has the molecular formula C15H8F2N2O2 and a molecular weight of 286.24 g/mol. Its IUPAC name is 8-fluoro-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid
PubChem CID83119404
Molecular FormulaC15H8F2N2O2
Molecular Weight286.24 g/mol
Exact Mass286.06
IUPAC Name8-fluoro-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cn2)nc2c(F)cccc12
InChIInChI=1S/C15H8F2N2O2/c16-8-4-5-12(18-7-8)13-6-10(15(20)21)9-2-1-3-11(17)14(9)19-13/h1-7H,(H,20,21)
InChIKeyFRNVRPVIVRYBBG-UHFFFAOYSA-N
XLogP3.27
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid?
The IUPAC name of 8-fluoro-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid (CID 83119404) is 8-fluoro-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 8-fluoro-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid?
The canonical SMILES for 8-fluoro-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc(F)cn2)nc2c(F)cccc12.
What is the InChIKey of 8-fluoro-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid?
The InChIKey is FRNVRPVIVRYBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2N2O2/c16-8-4-5-12(18-7-8)13-6-10(15(20)21)9-2-1-3-11(17)14(9)19-13/h1-7H,(H,20,21).
What are the key properties of 8-fluoro-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid?
8-fluoro-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid has a molecular weight of 286.24 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 83119404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).