3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile

C15H12FN3 — CID 103494010

IUPAC3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
SMILESN#Cc1ccc(N2CCc3ccc(F)cc32)c(N)c1
InChIInChI=1S/C15H12FN3/c16-12-3-2-11-5-6-19(15(11)8-12)14-4-1-10(9-17)7-13(14)18/h1-4,7-8H,5-6,18H2
InChIKeyWKAUBBIOMIEHLD-UHFFFAOYSA-N
MW253.28 g/mol
LogP2.97
Rot. Bonds1

About 3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile

3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile (PubChem CID 103494010) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is 3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile.

Molecular Properties

Compound Name3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
PubChem CID103494010
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
SMILESN#Cc1ccc(N2CCc3ccc(F)cc32)c(N)c1
InChIInChI=1S/C15H12FN3/c16-12-3-2-11-5-6-19(15(11)8-12)14-4-1-10(9-17)7-13(14)18/h1-4,7-8H,5-6,18H2
InChIKeyWKAUBBIOMIEHLD-UHFFFAOYSA-N
XLogP2.97
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
CID 103495541
3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103501357
2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
CID 103493907
(1S)-1-[3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496767
2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidine-4-carbonitrile
CID 107545455
4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorobenzonitrile
CID 43657235
3-amino-4-(azepan-1-yl)benzonitrile
CID 43517941
3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline
CID 103493897
3-amino-4-(2-oxoazepan-1-yl)benzonitrile
CID 78967639
1-[3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 103498394
[2-bromo-3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 107532532
2-ethylsulfanyl-6-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
CID 103495528

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile?
The IUPAC name of 3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile (CID 103494010) is 3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile.
What is the SMILES notation for 3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile?
The canonical SMILES for 3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile is N#Cc1ccc(N2CCc3ccc(F)cc32)c(N)c1.
What is the InChIKey of 3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile?
The InChIKey is WKAUBBIOMIEHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c16-12-3-2-11-5-6-19(15(11)8-12)14-4-1-10(9-17)7-13(14)18/h1-4,7-8H,5-6,18H2.
What are the key properties of 3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile?
3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile has a molecular weight of 253.28 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile is sourced from PubChem (CID 103494010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).