2-[(5-chloro-3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile

C22H16ClN3 — CID 150648077

IUPAC2-[(5-chloro-3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile
SMILESCc1c(-c2cccnc2)n(Cc2ccccc2C#N)c2ccc(Cl)cc12
InChIInChI=1S/C22H16ClN3/c1-15-20-11-19(23)8-9-21(20)26(22(15)17-7-4-10-25-13-17)14-18-6-3-2-5-16(18)12-24/h2-11,13H,14H2,1H3
InChIKeyJBHLWAYMCJQCMG-UHFFFAOYSA-N
MW357.84 g/mol
LogP5.59
Rot. Bonds3

About 2-[(5-chloro-3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile

2-[(5-chloro-3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile (PubChem CID 150648077) has the molecular formula C22H16ClN3 and a molecular weight of 357.84 g/mol. Its IUPAC name is 2-[(5-chloro-3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(5-chloro-3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile
PubChem CID150648077
Molecular FormulaC22H16ClN3
Molecular Weight357.84 g/mol
Exact Mass357.10
IUPAC Name2-[(5-chloro-3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile
SMILESCc1c(-c2cccnc2)n(Cc2ccccc2C#N)c2ccc(Cl)cc12
InChIInChI=1S/C22H16ClN3/c1-15-20-11-19(23)8-9-21(20)26(22(15)17-7-4-10-25-13-17)14-18-6-3-2-5-16(18)12-24/h2-11,13H,14H2,1H3
InChIKeyJBHLWAYMCJQCMG-UHFFFAOYSA-N
XLogP5.59
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.84
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile
CID 58215630
1-benzyl-5-fluoro-3-methyl-2-pyridin-3-ylindole
CID 141375001
1-(hydroxymethyl)-3-methyl-2-pyridin-3-ylindole-5-carbonitrile
CID 58215788
3-[(2-cyanophenyl)methyl]-5-methyl-2-pyridin-3-ylimidazole-4-carboxylic acid
CID 118428160
methyl 4-[(6-chloro-3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzoate
CID 67092984
1,3-dimethyl-2-pyridin-3-ylindole-5-carbonitrile
CID 123248615
1-(2,2-dimethylpropoxymethyl)-3-methyl-2-pyridin-3-ylindole-5-carbonitrile
CID 59534664
2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile
CID 8986663
2-[[2-(3-chlorophenyl)imidazol-1-yl]methyl]benzonitrile
CID 82561625
(Z)-4-(5-chloro-2-methyl-3-pyridin-3-ylindol-1-yl)-3-fluoro-N-methylbut-2-en-1-amine
CID 130341095
3-methyl-1-[(3-phenylmethoxyphenyl)methyl]-2-pyridin-3-ylindole;hydrochloride
CID 44554306
2-[[3-[(2-cyanophenyl)methyl]-4,5-dimethyl-2-oxoimidazol-1-yl]methyl]benzonitrile
CID 67586386

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile?
The IUPAC name of 2-[(5-chloro-3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile (CID 150648077) is 2-[(5-chloro-3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile.
What is the SMILES notation for 2-[(5-chloro-3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile?
The canonical SMILES for 2-[(5-chloro-3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile is Cc1c(-c2cccnc2)n(Cc2ccccc2C#N)c2ccc(Cl)cc12.
What is the InChIKey of 2-[(5-chloro-3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile?
The InChIKey is JBHLWAYMCJQCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3/c1-15-20-11-19(23)8-9-21(20)26(22(15)17-7-4-10-25-13-17)14-18-6-3-2-5-16(18)12-24/h2-11,13H,14H2,1H3.
What are the key properties of 2-[(5-chloro-3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile?
2-[(5-chloro-3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile has a molecular weight of 357.84 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile is sourced from PubChem (CID 150648077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).