5-[(6-aminoindol-1-yl)methyl]-2-fluorobenzonitrile

C16H12FN3 — CID 107880798

IUPAC5-[(6-aminoindol-1-yl)methyl]-2-fluorobenzonitrile
SMILESN#Cc1cc(Cn2ccc3ccc(N)cc32)ccc1F
InChIInChI=1S/C16H12FN3/c17-15-4-1-11(7-13(15)9-18)10-20-6-5-12-2-3-14(19)8-16(12)20/h1-8H,10,19H2
InChIKeyQGPZERGPBHJIDT-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.28
Rot. Bonds2

About 5-[(6-aminoindol-1-yl)methyl]-2-fluorobenzonitrile

5-[(6-aminoindol-1-yl)methyl]-2-fluorobenzonitrile (PubChem CID 107880798) has the molecular formula C16H12FN3 and a molecular weight of 265.29 g/mol. Its IUPAC name is 5-[(6-aminoindol-1-yl)methyl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[(6-aminoindol-1-yl)methyl]-2-fluorobenzonitrile
PubChem CID107880798
Molecular FormulaC16H12FN3
Molecular Weight265.29 g/mol
Exact Mass265.10
IUPAC Name5-[(6-aminoindol-1-yl)methyl]-2-fluorobenzonitrile
SMILESN#Cc1cc(Cn2ccc3ccc(N)cc32)ccc1F
InChIInChI=1S/C16H12FN3/c17-15-4-1-11(7-13(15)9-18)10-20-6-5-12-2-3-14(19)8-16(12)20/h1-8H,10,19H2
InChIKeyQGPZERGPBHJIDT-UHFFFAOYSA-N
XLogP3.28
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.28
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-[(5-aminoindol-1-yl)methyl]-2-fluorobenzonitrile
CID 107880796
1-[(3-fluoro-4-methoxyphenyl)methyl]indol-6-amine
CID 43308823
1-benzylindol-6-amine
CID 69325204
[4-[(6-aminoindol-1-yl)methyl]phenyl]methanol;hydrochloride
CID 126796353
1-[(2-fluorophenyl)methyl]indol-6-amine
CID 43308904
1-[(3-amino-5-fluorophenyl)methyl]indole-6-carbonitrile
CID 107916534
6-chloro-1-[(3,4-difluorophenyl)methyl]indole
CID 116620611
5-[(5-amino-3-bromo-2-oxo-1-pyridinyl)methyl]-2-fluorobenzonitrile
CID 107880903
5-[(5-amino-2,4-dioxopyrimidin-1-yl)methyl]-2-fluorobenzonitrile
CID 107880872
5-[(5-amino-3-oxo-1H-isoindol-2-yl)methyl]-2-fluorobenzonitrile
CID 107886460
6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole
CID 103041483
1-[(4-bromo-2-fluorophenyl)methyl]indol-6-amine
CID 43438690

Frequently Asked Questions

What is the IUPAC name of 5-[(6-aminoindol-1-yl)methyl]-2-fluorobenzonitrile?
The IUPAC name of 5-[(6-aminoindol-1-yl)methyl]-2-fluorobenzonitrile (CID 107880798) is 5-[(6-aminoindol-1-yl)methyl]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[(6-aminoindol-1-yl)methyl]-2-fluorobenzonitrile?
The canonical SMILES for 5-[(6-aminoindol-1-yl)methyl]-2-fluorobenzonitrile is N#Cc1cc(Cn2ccc3ccc(N)cc32)ccc1F.
What is the InChIKey of 5-[(6-aminoindol-1-yl)methyl]-2-fluorobenzonitrile?
The InChIKey is QGPZERGPBHJIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3/c17-15-4-1-11(7-13(15)9-18)10-20-6-5-12-2-3-14(19)8-16(12)20/h1-8H,10,19H2.
What are the key properties of 5-[(6-aminoindol-1-yl)methyl]-2-fluorobenzonitrile?
5-[(6-aminoindol-1-yl)methyl]-2-fluorobenzonitrile has a molecular weight of 265.29 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-aminoindol-1-yl)methyl]-2-fluorobenzonitrile is sourced from PubChem (CID 107880798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).