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

C16H9FN2O2 — CID 135489088

IUPAC2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile
SMILESN#Cc1cc(-c2ccc(O)c(F)c2)nc2ccc(O)cc12
InChIInChI=1S/C16H9FN2O2/c17-13-5-9(1-4-16(13)21)15-6-10(8-18)12-7-11(20)2-3-14(12)19-15/h1-7,20-21H
InChIKeyATMAXGYHJNCXIR-UHFFFAOYSA-N
MW280.26 g/mol
LogP3.32
Rot. Bonds1

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

2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile (PubChem CID 135489088) has the molecular formula C16H9FN2O2 and a molecular weight of 280.26 g/mol. Its IUPAC name is 2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile
PubChem CID135489088
Molecular FormulaC16H9FN2O2
Molecular Weight280.26 g/mol
Exact Mass280.06
IUPAC Name2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile
SMILESN#Cc1cc(-c2ccc(O)c(F)c2)nc2ccc(O)cc12
InChIInChI=1S/C16H9FN2O2/c17-13-5-9(1-4-16(13)21)15-6-10(8-18)12-7-11(20)2-3-14(12)19-15/h1-7,20-21H
InChIKeyATMAXGYHJNCXIR-UHFFFAOYSA-N
XLogP3.32
TPSA77.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Acridinol, 5,6,7,8-tetrahydro-9-amino-, dihydrate
CID 3077884
9-Amino-2-hydroxyacridine
CID 23520
2-[2-(2-Quinolinyl)ethenyl]phenol
CID 2864430
2-(4-Hydroxyphenyl)-4-vinylquinolin-6-ol
CID 135409729
5-Bromo-2-(4-hydroxy-phenyl)-quinolin-6-ol
CID 135421237
4-Ethyl-2-(4-hydroxyphenyl)quinolin-6-ol
CID 135430317
4-Bromo-2-(4-hydroxyphenyl)quinolin-6-ol
CID 135454802
5-Chloro-2-(4-hydroxy-phenyl)-quinolin-6-ol
CID 135502634
4-Chloro-2-(4-hydroxyphenyl)quinolin-6-ol
CID 135519319
4-Ethynyl-2-(4-hydroxyphenyl)quinolin-6-ol
CID 135524856
2-(4-Hydroxy-phenyl)-quinolin-6-ol
CID 135987619
Quininib
CID 135411330

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile?
The IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile (CID 135489088) is 2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile.
What is the SMILES notation for 2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile?
The canonical SMILES for 2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile is N#Cc1cc(-c2ccc(O)c(F)c2)nc2ccc(O)cc12.
What is the InChIKey of 2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile?
The InChIKey is ATMAXGYHJNCXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN2O2/c17-13-5-9(1-4-16(13)21)15-6-10(8-18)12-7-11(20)2-3-14(12)19-15/h1-7,20-21H.
What are the key properties of 2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile?
2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile has a molecular weight of 280.26 g/mol, XLogP of 3.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile is sourced from PubChem (CID 135489088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).