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

C15H12FN3 — CID 103493907

IUPAC2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
SMILESN#Cc1cccc(N2CCc3ccc(F)cc32)c1N
InChIInChI=1S/C15H12FN3/c16-12-5-4-10-6-7-19(14(10)8-12)13-3-1-2-11(9-17)15(13)18/h1-5,8H,6-7,18H2
InChIKeyNJBCMNYAHWFILC-UHFFFAOYSA-N
MW253.28 g/mol
LogP2.97
Rot. Bonds1

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

2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile (PubChem CID 103493907) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile.

Molecular Properties

Compound Name2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
PubChem CID103493907
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
SMILESN#Cc1cccc(N2CCc3ccc(F)cc32)c1N
InChIInChI=1S/C15H12FN3/c16-12-5-4-10-6-7-19(14(10)8-12)13-3-1-2-11(9-17)15(13)18/h1-5,8H,6-7,18H2
InChIKeyNJBCMNYAHWFILC-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
2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzenesulfonamide
CID 103494011
3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
CID 103494010
2-ethylsulfanyl-6-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
CID 103495528
[2-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 103494043
(1S)-1-[2-fluoro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496718
2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidine-4-carbonitrile
CID 107545455
3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103496505
3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103501357
3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline
CID 103493897
2-(2,3-dihydroindol-1-yl)-4,6-difluoroaniline
CID 113325091
4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzaldehyde
CID 103497669

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile?
The IUPAC name of 2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile (CID 103493907) is 2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile.
What is the SMILES notation for 2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile?
The canonical SMILES for 2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile is N#Cc1cccc(N2CCc3ccc(F)cc32)c1N.
What is the InChIKey of 2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile?
The InChIKey is NJBCMNYAHWFILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c16-12-5-4-10-6-7-19(14(10)8-12)13-3-1-2-11(9-17)15(13)18/h1-5,8H,6-7,18H2.
What are the key properties of 2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile?
2-amino-3-(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 2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile is sourced from PubChem (CID 103493907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).