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

C16H8ClFN2O2 — CID 135489109

IUPAC8-chloro-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile
SMILESN#Cc1cc(-c2ccc(O)c(F)c2)nc2c(Cl)cc(O)cc12
InChIInChI=1S/C16H8ClFN2O2/c17-12-6-10(21)5-11-9(7-19)4-14(20-16(11)12)8-1-2-15(22)13(18)3-8/h1-6,21-22H
InChIKeyVVUNTPRPPJHNBW-UHFFFAOYSA-N
MW314.70 g/mol
LogP3.98
Rot. Bonds1

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

8-chloro-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile (PubChem CID 135489109) has the molecular formula C16H8ClFN2O2 and a molecular weight of 314.70 g/mol. Its IUPAC name is 8-chloro-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile.

Molecular Properties

Compound Name8-chloro-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile
PubChem CID135489109
Molecular FormulaC16H8ClFN2O2
Molecular Weight314.70 g/mol
Exact Mass314.03
IUPAC Name8-chloro-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile
SMILESN#Cc1cc(-c2ccc(O)c(F)c2)nc2c(Cl)cc(O)cc12
InChIInChI=1S/C16H8ClFN2O2/c17-12-6-10(21)5-11-9(7-19)4-14(20-16(11)12)8-1-2-15(22)13(18)3-8/h1-6,21-22H
InChIKeyVVUNTPRPPJHNBW-UHFFFAOYSA-N
XLogP3.98
TPSA77.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.70
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Hydroxy-phenyl)-quinolin-6-ol
CID 135987619
2-(4-Hydroxyphenyl)-4-vinylquinolin-6-ol
CID 135409729
4-Ethyl-2-(4-hydroxyphenyl)quinolin-6-ol
CID 135430317
5-Chloro-2-(4-hydroxy-phenyl)-quinolin-6-ol
CID 135502634
4-Chloro-2-(4-hydroxyphenyl)quinolin-6-ol
CID 135519319
4-Chloro-2-(3-fluoro-4-hydroxy-phenyl)-quinolin-6-ol
CID 135409748
4-Ethyl-2-(3-fluoro-4-hydroxy-phenyl)-quinolin-6-ol
CID 135409961
4-Cyano-2-(4-hydroxyphenyl)quinolin-6-ol
CID 135430315
2-(3,5-Difluoro-4-hydroxyphenyl)-4-ethynylquinolin-6-ol
CID 135436566
2-(3-Fluoro-4-hydroxy-phenyl)-4-phenyl-quinolin-6-ol
CID 135454811
4-Ethynyl-2-(3-fluoro-4-hydroxy-phenyl)-quinolin-6-ol
CID 135458128
2-(3-Fluoro-4-hydroxy-phenyl)-6-hydroxy-quinoline-4-carbonitrile
CID 135489088

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile?
The IUPAC name of 8-chloro-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile (CID 135489109) is 8-chloro-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile.
What is the SMILES notation for 8-chloro-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile?
The canonical SMILES for 8-chloro-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile is N#Cc1cc(-c2ccc(O)c(F)c2)nc2c(Cl)cc(O)cc12.
What is the InChIKey of 8-chloro-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile?
The InChIKey is VVUNTPRPPJHNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClFN2O2/c17-12-6-10(21)5-11-9(7-19)4-14(20-16(11)12)8-1-2-15(22)13(18)3-8/h1-6,21-22H.
What are the key properties of 8-chloro-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile?
8-chloro-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile has a molecular weight of 314.70 g/mol, XLogP of 3.98, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-4-carbonitrile is sourced from PubChem (CID 135489109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).