2-fluoro-5-(1H-indol-3-ylmethylamino)benzonitrile

C16H12FN3 — CID 62326498

IUPAC2-fluoro-5-(1H-indol-3-ylmethylamino)benzonitrile
SMILESN#Cc1cc(NCc2c[nH]c3ccccc23)ccc1F
InChIInChI=1S/C16H12FN3/c17-15-6-5-13(7-11(15)8-18)19-9-12-10-20-16-4-2-1-3-14(12)16/h1-7,10,19-20H,9H2
InChIKeyWKUMTEPDSZMYDF-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.79
Rot. Bonds3

About 2-fluoro-5-(1H-indol-3-ylmethylamino)benzonitrile

2-fluoro-5-(1H-indol-3-ylmethylamino)benzonitrile (PubChem CID 62326498) has the molecular formula C16H12FN3 and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-fluoro-5-(1H-indol-3-ylmethylamino)benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-(1H-indol-3-ylmethylamino)benzonitrile
PubChem CID62326498
Molecular FormulaC16H12FN3
Molecular Weight265.29 g/mol
Exact Mass265.10
IUPAC Name2-fluoro-5-(1H-indol-3-ylmethylamino)benzonitrile
SMILESN#Cc1cc(NCc2c[nH]c3ccccc23)ccc1F
InChIInChI=1S/C16H12FN3/c17-15-6-5-13(7-11(15)8-18)19-9-12-10-20-16-4-2-1-3-14(12)16/h1-7,10,19-20H,9H2
InChIKeyWKUMTEPDSZMYDF-UHFFFAOYSA-N
XLogP3.79
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzonitrile
CID 62318189
4-fluoro-N-(1H-indol-3-ylmethyl)-3-methoxyaniline
CID 114838759
3-fluoro-N-(1H-indol-3-ylmethyl)-4-methoxyaniline
CID 60980784
2-[4-(1H-indol-3-ylmethylamino)phenyl]acetonitrile
CID 60681635
3-fluoro-5-(1H-indol-3-ylmethylamino)-4-methylbenzonitrile
CID 62332437
4-bromo-N-(1H-indol-3-ylmethyl)aniline
CID 672214
5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzonitrile
CID 79979673
N-(1H-indol-3-ylmethyl)quinolin-6-amine
CID 62635279
3-(1H-indol-3-ylmethylamino)benzamide
CID 60680190
1H-indol-3-ylmethylcyanamide
CID 145401688
N-(1H-indol-3-ylmethyl)-1-benzothiophen-5-amine
CID 60981068
4-bromo-N-(1H-indol-3-ylmethyl)-3-nitroaniline
CID 79754427

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(1H-indol-3-ylmethylamino)benzonitrile?
The IUPAC name of 2-fluoro-5-(1H-indol-3-ylmethylamino)benzonitrile (CID 62326498) is 2-fluoro-5-(1H-indol-3-ylmethylamino)benzonitrile.
What is the SMILES notation for 2-fluoro-5-(1H-indol-3-ylmethylamino)benzonitrile?
The canonical SMILES for 2-fluoro-5-(1H-indol-3-ylmethylamino)benzonitrile is N#Cc1cc(NCc2c[nH]c3ccccc23)ccc1F.
What is the InChIKey of 2-fluoro-5-(1H-indol-3-ylmethylamino)benzonitrile?
The InChIKey is WKUMTEPDSZMYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3/c17-15-6-5-13(7-11(15)8-18)19-9-12-10-20-16-4-2-1-3-14(12)16/h1-7,10,19-20H,9H2.
What are the key properties of 2-fluoro-5-(1H-indol-3-ylmethylamino)benzonitrile?
2-fluoro-5-(1H-indol-3-ylmethylamino)benzonitrile has a molecular weight of 265.29 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1H-indol-3-ylmethylamino)benzonitrile is sourced from PubChem (CID 62326498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).