1-[(3-fluorophenyl)methyl]-2-methylindole-5-carbonitrile

C17H13FN2 — CID 143383296

IUPAC1-[(3-fluorophenyl)methyl]-2-methylindole-5-carbonitrile
SMILESCc1cc2cc(C#N)ccc2n1Cc1cccc(F)c1
InChIInChI=1S/C17H13FN2/c1-12-7-15-8-13(10-19)5-6-17(15)20(12)11-14-3-2-4-16(18)9-14/h2-9H,11H2,1H3
InChIKeyGLQYROWUGVRIPL-UHFFFAOYSA-N
MW264.30 g/mol
LogP4.01
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]-2-methylindole-5-carbonitrile

1-[(3-fluorophenyl)methyl]-2-methylindole-5-carbonitrile (PubChem CID 143383296) has the molecular formula C17H13FN2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-2-methylindole-5-carbonitrile.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-2-methylindole-5-carbonitrile
PubChem CID143383296
Molecular FormulaC17H13FN2
Molecular Weight264.30 g/mol
Exact Mass264.11
IUPAC Name1-[(3-fluorophenyl)methyl]-2-methylindole-5-carbonitrile
SMILESCc1cc2cc(C#N)ccc2n1Cc1cccc(F)c1
InChIInChI=1S/C17H13FN2/c1-12-7-15-8-13(10-19)5-6-17(15)20(12)11-14-3-2-4-16(18)9-14/h2-9H,11H2,1H3
InChIKeyGLQYROWUGVRIPL-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-[(3-fluorophenyl)methyl]indole-6-carbonitrile
CID 91690035
3-fluoro-4-[(2-methylindol-1-yl)methyl]benzonitrile
CID 63811278
1-benzyl-2-phenylindole-5-carbonitrile
CID 134943475
3-[(2-amino-5-fluorobenzimidazol-1-yl)methyl]benzonitrile
CID 62314956
5-fluoro-1-[(4-methoxyphenyl)methyl]-2-methylindole
CID 174227358
3-[(3-fluorophenyl)methoxy]-4-methylbenzonitrile
CID 103760064
2-chloro-1-[(3-fluorophenyl)methyl]-7-methylindole-3-carbonitrile
CID 82268701
1-[(4-fluorophenyl)methyl]-2-methylindole
CID 3272016
1-[2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]indole-5-carbonitrile
CID 54397361
2-chloro-5-fluoro-1-[(3-methylphenyl)methyl]indole-3-carbonitrile
CID 82268820
5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxylic acid
CID 57431513
2-(3-fluorophenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040309

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-2-methylindole-5-carbonitrile?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-2-methylindole-5-carbonitrile (CID 143383296) is 1-[(3-fluorophenyl)methyl]-2-methylindole-5-carbonitrile.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-2-methylindole-5-carbonitrile?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-2-methylindole-5-carbonitrile is Cc1cc2cc(C#N)ccc2n1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-2-methylindole-5-carbonitrile?
The InChIKey is GLQYROWUGVRIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2/c1-12-7-15-8-13(10-19)5-6-17(15)20(12)11-14-3-2-4-16(18)9-14/h2-9H,11H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-2-methylindole-5-carbonitrile?
1-[(3-fluorophenyl)methyl]-2-methylindole-5-carbonitrile 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 1-[(3-fluorophenyl)methyl]-2-methylindole-5-carbonitrile is sourced from PubChem (CID 143383296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).