5,8-difluoro-2-pyridin-4-ylquinoline-4-carboxylic acid

C15H8F2N2O2 — CID 83206411

IUPAC5,8-difluoro-2-pyridin-4-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccncc2)nc2c(F)ccc(F)c12
InChIInChI=1S/C15H8F2N2O2/c16-10-1-2-11(17)14-13(10)9(15(20)21)7-12(19-14)8-3-5-18-6-4-8/h1-7H,(H,20,21)
InChIKeyLOUQCRSEDYHJSX-UHFFFAOYSA-N
MW286.24 g/mol
LogP3.27
Rot. Bonds2

About 5,8-difluoro-2-pyridin-4-ylquinoline-4-carboxylic acid

5,8-difluoro-2-pyridin-4-ylquinoline-4-carboxylic acid (PubChem CID 83206411) has the molecular formula C15H8F2N2O2 and a molecular weight of 286.24 g/mol. Its IUPAC name is 5,8-difluoro-2-pyridin-4-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name5,8-difluoro-2-pyridin-4-ylquinoline-4-carboxylic acid
PubChem CID83206411
Molecular FormulaC15H8F2N2O2
Molecular Weight286.24 g/mol
Exact Mass286.06
IUPAC Name5,8-difluoro-2-pyridin-4-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccncc2)nc2c(F)ccc(F)c12
InChIInChI=1S/C15H8F2N2O2/c16-10-1-2-11(17)14-13(10)9(15(20)21)7-12(19-14)8-3-5-18-6-4-8/h1-7H,(H,20,21)
InChIKeyLOUQCRSEDYHJSX-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 5,8-difluoro-2-pyridin-4-ylquinoline-4-carboxylic acid?
The IUPAC name of 5,8-difluoro-2-pyridin-4-ylquinoline-4-carboxylic acid (CID 83206411) is 5,8-difluoro-2-pyridin-4-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 5,8-difluoro-2-pyridin-4-ylquinoline-4-carboxylic acid?
The canonical SMILES for 5,8-difluoro-2-pyridin-4-ylquinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccncc2)nc2c(F)ccc(F)c12.
What is the InChIKey of 5,8-difluoro-2-pyridin-4-ylquinoline-4-carboxylic acid?
The InChIKey is LOUQCRSEDYHJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2N2O2/c16-10-1-2-11(17)14-13(10)9(15(20)21)7-12(19-14)8-3-5-18-6-4-8/h1-7H,(H,20,21).
What are the key properties of 5,8-difluoro-2-pyridin-4-ylquinoline-4-carboxylic acid?
5,8-difluoro-2-pyridin-4-ylquinoline-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 5,8-difluoro-2-pyridin-4-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 83206411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).