2-amino-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile

C15H10FN3O — CID 156877289

IUPAC2-amino-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile
SMILESN#Cc1c(N)n(-c2ccc(F)cc2)c2ccc(O)cc12
InChIInChI=1S/C15H10FN3O/c16-9-1-3-10(4-2-9)19-14-6-5-11(20)7-12(14)13(8-17)15(19)18/h1-7,20H,18H2
InChIKeyXFEQFUVTVWBRQP-UHFFFAOYSA-N
MW267.26 g/mol
LogP2.93
Rot. Bonds1

About 2-amino-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile

2-amino-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile (PubChem CID 156877289) has the molecular formula C15H10FN3O and a molecular weight of 267.26 g/mol. Its IUPAC name is 2-amino-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile
PubChem CID156877289
Molecular FormulaC15H10FN3O
Molecular Weight267.26 g/mol
Exact Mass267.08
IUPAC Name2-amino-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile
SMILESN#Cc1c(N)n(-c2ccc(F)cc2)c2ccc(O)cc12
InChIInChI=1S/C15H10FN3O/c16-9-1-3-10(4-2-9)19-14-6-5-11(20)7-12(14)13(8-17)15(19)18/h1-7,20H,18H2
InChIKeyXFEQFUVTVWBRQP-UHFFFAOYSA-N
XLogP2.93
TPSA74.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile
CID 156877416
2-cyclopropyl-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile
CID 156877232
9-(4-fluorophenyl)carbazole-3,6-diamine
CID 89271957
5-hydroxy-2-(oxolan-2-yl)-1-phenylindole-3-carbonitrile
CID 156877362
4-[3-amino-2-(4-fluorophenoxy)indol-1-yl]phenol
CID 70964746
2-amino-5-[[5-amino-4-cyano-3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrrol-2-yl]disulfanyl]-4-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrrole-3-carbonitrile
CID 44517380
9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole
CID 23534185
9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole;ethane
CID 142805188
5-amino-3-(3-fluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile
CID 22309822
2-bromo-1-(4-methoxyphenyl)indole-3-carbonitrile;2-(4-fluorophenoxy)-N'-hydroxy-1-(4-hydroxyphenyl)indole-3-carboximidamide;2-(4-fluorophenoxy)-1-(4-hydroxyphenyl)indole-3-carbonitrile;2-(4-fluorophenoxy)-1-(4-methoxyphenyl)indole-3-carbonitrile
CID 172971897
2-amino-1,5-dimethylindole-3-carbonitrile
CID 21025755
5-amino-8-fluorotriazolo[5,1-a]isoquinoline-6-carbonitrile
CID 72735273

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile?
The IUPAC name of 2-amino-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile (CID 156877289) is 2-amino-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile?
The canonical SMILES for 2-amino-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile is N#Cc1c(N)n(-c2ccc(F)cc2)c2ccc(O)cc12.
What is the InChIKey of 2-amino-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile?
The InChIKey is XFEQFUVTVWBRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O/c16-9-1-3-10(4-2-9)19-14-6-5-11(20)7-12(14)13(8-17)15(19)18/h1-7,20H,18H2.
What are the key properties of 2-amino-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile?
2-amino-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile has a molecular weight of 267.26 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile is sourced from PubChem (CID 156877289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).