2-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)indole-3-carbonitrile

C17H14FN3O — CID 66898110

IUPAC2-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)indole-3-carbonitrile
SMILESCN(C)c1c(C#N)c2ccccc2n1-c1ccc(O)cc1F
InChIInChI=1S/C17H14FN3O/c1-20(2)17-13(10-19)12-5-3-4-6-15(12)21(17)16-8-7-11(22)9-14(16)18/h3-9,22H,1-2H3
InChIKeySZIUAOWLSRSRES-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.41
Rot. Bonds2

About 2-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)indole-3-carbonitrile

2-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)indole-3-carbonitrile (PubChem CID 66898110) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)indole-3-carbonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)indole-3-carbonitrile
PubChem CID66898110
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Name2-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)indole-3-carbonitrile
SMILESCN(C)c1c(C#N)c2ccccc2n1-c1ccc(O)cc1F
InChIInChI=1S/C17H14FN3O/c1-20(2)17-13(10-19)12-5-3-4-6-15(12)21(17)16-8-7-11(22)9-14(16)18/h3-9,22H,1-2H3
InChIKeySZIUAOWLSRSRES-UHFFFAOYSA-N
XLogP3.41
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-1-(4-hydroxyphenyl)indole-3-carbonitrile;2-(dimethylamino)-1-(4-hydroxyphenyl)indole-3-carbonitrile
CID 159785226
1-(2-fluoro-4-hydroxyphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]indole-3-carbonitrile
CID 66898006
2-fluoro-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide
CID 145028312
2-carbazol-9-yl-3,5,6-trifluorobenzonitrile
CID 146406018
3,6-di(carbazol-9-yl)-2-[3,6-di(carbazol-9-yl)-2-cyanophenyl]benzonitrile
CID 129313217
2,6-di(carbazol-9-yl)-4-(2,4,6-trifluorophenyl)benzonitrile
CID 142489631
2,5-bis(1,2,3,4-tetrahydroxycarbazol-9-yl)benzene-1,4-dicarbonitrile
CID 146594592
1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)indole-3-carboximidamide
CID 91357971
2-carbazol-9-yl-4,5-dimethylbenzonitrile;ethane
CID 144984345
2,3,4,6-tetra(carbazol-9-yl)-5-fluorobenzonitrile
CID 122401000
4-[bis[9-(2,4-difluorophenyl)carbazol-3-yl]amino]benzonitrile;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-fluorophenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-methylphenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-phenylcarbazol-3-amine
CID 158131422
2-tert-butyl-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile
CID 156877416

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)indole-3-carbonitrile?
The IUPAC name of 2-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)indole-3-carbonitrile (CID 66898110) is 2-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)indole-3-carbonitrile.
What is the SMILES notation for 2-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)indole-3-carbonitrile?
The canonical SMILES for 2-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)indole-3-carbonitrile is CN(C)c1c(C#N)c2ccccc2n1-c1ccc(O)cc1F.
What is the InChIKey of 2-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)indole-3-carbonitrile?
The InChIKey is SZIUAOWLSRSRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c1-20(2)17-13(10-19)12-5-3-4-6-15(12)21(17)16-8-7-11(22)9-14(16)18/h3-9,22H,1-2H3.
What are the key properties of 2-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)indole-3-carbonitrile?
2-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)indole-3-carbonitrile has a molecular weight of 295.32 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)indole-3-carbonitrile is sourced from PubChem (CID 66898110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).