4-bromo-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-8-carbonitrile

C16H8BrFN2O2 — CID 135489145

IUPAC4-bromo-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-8-carbonitrile
SMILESN#Cc1cc(O)cc2c(Br)cc(-c3ccc(O)c(F)c3)nc12
InChIInChI=1S/C16H8BrFN2O2/c17-12-6-14(8-1-2-15(22)13(18)4-8)20-16-9(7-19)3-10(21)5-11(12)16/h1-6,21-22H
InChIKeySKQYTCVEXYLFEW-UHFFFAOYSA-N
MW359.15 g/mol
LogP4.09
Rot. Bonds1

About 4-bromo-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-8-carbonitrile

4-bromo-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-8-carbonitrile (PubChem CID 135489145) has the molecular formula C16H8BrFN2O2 and a molecular weight of 359.15 g/mol. Its IUPAC name is 4-bromo-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-8-carbonitrile.

Molecular Properties

Compound Name4-bromo-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-8-carbonitrile
PubChem CID135489145
Molecular FormulaC16H8BrFN2O2
Molecular Weight359.15 g/mol
Exact Mass357.98
IUPAC Name4-bromo-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-8-carbonitrile
SMILESN#Cc1cc(O)cc2c(Br)cc(-c3ccc(O)c(F)c3)nc12
InChIInChI=1S/C16H8BrFN2O2/c17-12-6-14(8-1-2-15(22)13(18)4-8)20-16-9(7-19)3-10(21)5-11(12)16/h1-6,21-22H
InChIKeySKQYTCVEXYLFEW-UHFFFAOYSA-N
XLogP4.09
TPSA77.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.15
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-8-carbonitrile?
The IUPAC name of 4-bromo-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-8-carbonitrile (CID 135489145) is 4-bromo-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-8-carbonitrile.
What is the SMILES notation for 4-bromo-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-8-carbonitrile?
The canonical SMILES for 4-bromo-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-8-carbonitrile is N#Cc1cc(O)cc2c(Br)cc(-c3ccc(O)c(F)c3)nc12.
What is the InChIKey of 4-bromo-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-8-carbonitrile?
The InChIKey is SKQYTCVEXYLFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrFN2O2/c17-12-6-14(8-1-2-15(22)13(18)4-8)20-16-9(7-19)3-10(21)5-11(12)16/h1-6,21-22H.
What are the key properties of 4-bromo-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-8-carbonitrile?
4-bromo-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-8-carbonitrile has a molecular weight of 359.15 g/mol, XLogP of 4.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-8-carbonitrile is sourced from PubChem (CID 135489145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).