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

C22H16FN3 — CID 58215630

IUPAC2-fluoro-4-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile
SMILESCc1c(-c2cccnc2)n(Cc2ccc(C#N)c(F)c2)c2ccccc12
InChIInChI=1S/C22H16FN3/c1-15-19-6-2-3-7-21(19)26(22(15)18-5-4-10-25-13-18)14-16-8-9-17(12-24)20(23)11-16/h2-11,13H,14H2,1H3
InChIKeyLRQFUOMZYHKVSJ-UHFFFAOYSA-N
MW341.39 g/mol
LogP5.07
Rot. Bonds3

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

2-fluoro-4-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile (PubChem CID 58215630) has the molecular formula C22H16FN3 and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-fluoro-4-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile
PubChem CID58215630
Molecular FormulaC22H16FN3
Molecular Weight341.39 g/mol
Exact Mass341.13
IUPAC Name2-fluoro-4-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile
SMILESCc1c(-c2cccnc2)n(Cc2ccc(C#N)c(F)c2)c2ccccc12
InChIInChI=1S/C22H16FN3/c1-15-19-6-2-3-7-21(19)26(22(15)18-5-4-10-25-13-18)14-16-8-9-17(12-24)20(23)11-16/h2-11,13H,14H2,1H3
InChIKeyLRQFUOMZYHKVSJ-UHFFFAOYSA-N
XLogP5.07
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.39
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-fluoro-3-methyl-2-pyridin-3-ylindole
CID 141375001
3-methyl-1-[(3-phenylmethoxyphenyl)methyl]-2-pyridin-3-ylindole;hydrochloride
CID 44554306
2-[(5-chloro-3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile
CID 150648077
methyl 4-[(6-chloro-3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzoate
CID 67092984
1-(hydroxymethyl)-3-methyl-2-pyridin-3-ylindole-5-carbonitrile
CID 58215788
6-(3-methyl-2-pyridin-3-ylindol-1-yl)hexanal
CID 13362113
1-(2,2-dimethylpropoxymethyl)-3-methyl-2-pyridin-3-ylindole-5-carbonitrile
CID 59534664
4-[(4-ethylpyrazol-1-yl)methyl]-2-fluorobenzonitrile
CID 172608047
1,3-dimethyl-2-pyridin-3-ylindole-5-carbonitrile
CID 123248615
2-fluoro-4-[[5-[(7-hydroxynaphthalen-1-yl)methyl]-2-methylimidazol-1-yl]methyl]benzonitrile
CID 57028373
2-fluoro-4-[(4-iodopyrazol-1-yl)methyl]benzonitrile
CID 178201653
4-fluoro-2-pyridin-3-ylbenzonitrile
CID 46315558

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile?
The IUPAC name of 2-fluoro-4-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile (CID 58215630) is 2-fluoro-4-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile is Cc1c(-c2cccnc2)n(Cc2ccc(C#N)c(F)c2)c2ccccc12.
What is the InChIKey of 2-fluoro-4-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile?
The InChIKey is LRQFUOMZYHKVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3/c1-15-19-6-2-3-7-21(19)26(22(15)18-5-4-10-25-13-18)14-16-8-9-17(12-24)20(23)11-16/h2-11,13H,14H2,1H3.
What are the key properties of 2-fluoro-4-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile?
2-fluoro-4-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile has a molecular weight of 341.39 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile is sourced from PubChem (CID 58215630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).