3-fluoro-4-[(2-methylindol-1-yl)methyl]benzonitrile

C17H13FN2 — CID 63811278

IUPAC3-fluoro-4-[(2-methylindol-1-yl)methyl]benzonitrile
SMILESCc1cc2ccccc2n1Cc1ccc(C#N)cc1F
InChIInChI=1S/C17H13FN2/c1-12-8-14-4-2-3-5-17(14)20(12)11-15-7-6-13(10-19)9-16(15)18/h2-9H,11H2,1H3
InChIKeyGWXXSQKICVRSOG-UHFFFAOYSA-N
MW264.30 g/mol
LogP4.01
Rot. Bonds2

About 3-fluoro-4-[(2-methylindol-1-yl)methyl]benzonitrile

3-fluoro-4-[(2-methylindol-1-yl)methyl]benzonitrile (PubChem CID 63811278) has the molecular formula C17H13FN2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-fluoro-4-[(2-methylindol-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[(2-methylindol-1-yl)methyl]benzonitrile
PubChem CID63811278
Molecular FormulaC17H13FN2
Molecular Weight264.30 g/mol
Exact Mass264.11
IUPAC Name3-fluoro-4-[(2-methylindol-1-yl)methyl]benzonitrile
SMILESCc1cc2ccccc2n1Cc1ccc(C#N)cc1F
InChIInChI=1S/C17H13FN2/c1-12-8-14-4-2-3-5-17(14)20(12)11-15-7-6-13(10-19)9-16(15)18/h2-9H,11H2,1H3
InChIKeyGWXXSQKICVRSOG-UHFFFAOYSA-N
XLogP4.01
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chloro-2-fluorophenyl)methyl]-2-methylindole
CID 114859479
1-[(2-chloro-4-fluorophenyl)methyl]-2-methylindole
CID 63810962
1-[(2,6-difluorophenyl)methyl]-2-methylindole
CID 114934250
1-[(3-fluorophenyl)methyl]-2-methylindole-5-carbonitrile
CID 143383296
3-fluoro-4-[[2-(2-hydroxyethylamino)benzimidazol-1-yl]methyl]benzonitrile
CID 51295210
1-[(2-chlorophenyl)methyl]-2-methylindole
CID 4050112
1-[(4-fluorophenyl)methyl]-2-methylindole
CID 3272016
4-[(3-amino-5-methylpyrazol-1-yl)methyl]-3-fluorobenzonitrile
CID 114253283
4-fluoro-3-[(2-methylindol-1-yl)methyl]benzamide
CID 63810152
tert-butyl 3-[(4-cyano-2-fluorophenyl)methyl]-2-oxobenzimidazole-1-carboxylate
CID 172553800
4-[(2,4-dioxo-1H-pyrimidin-3-yl)methyl]-3-fluorobenzonitrile
CID 103612048
4-[(5-bromoindol-1-yl)methyl]-3-fluorobenzonitrile
CID 116619751

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-methylindol-1-yl)methyl]benzonitrile?
The IUPAC name of 3-fluoro-4-[(2-methylindol-1-yl)methyl]benzonitrile (CID 63811278) is 3-fluoro-4-[(2-methylindol-1-yl)methyl]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[(2-methylindol-1-yl)methyl]benzonitrile?
The canonical SMILES for 3-fluoro-4-[(2-methylindol-1-yl)methyl]benzonitrile is Cc1cc2ccccc2n1Cc1ccc(C#N)cc1F.
What is the InChIKey of 3-fluoro-4-[(2-methylindol-1-yl)methyl]benzonitrile?
The InChIKey is GWXXSQKICVRSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2/c1-12-8-14-4-2-3-5-17(14)20(12)11-15-7-6-13(10-19)9-16(15)18/h2-9H,11H2,1H3.
What are the key properties of 3-fluoro-4-[(2-methylindol-1-yl)methyl]benzonitrile?
3-fluoro-4-[(2-methylindol-1-yl)methyl]benzonitrile has a molecular weight of 264.30 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2-methylindol-1-yl)methyl]benzonitrile is sourced from PubChem (CID 63811278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).