2-[(2-cyanophenyl)methyl]benzonitrile

C15H10N2 — CID 19390291

IUPAC2-[(2-cyanophenyl)methyl]benzonitrile
SMILESN#Cc1ccccc1Cc1ccccc1C#N
InChIInChI=1S/C15H10N2/c16-10-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)11-17/h1-8H,9H2
InChIKeySLLDUNKKEWNUDT-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.02
Rot. Bonds2

About 2-[(2-cyanophenyl)methyl]benzonitrile

2-[(2-cyanophenyl)methyl]benzonitrile (PubChem CID 19390291) has the molecular formula C15H10N2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[(2-cyanophenyl)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(2-cyanophenyl)methyl]benzonitrile
PubChem CID19390291
Molecular FormulaC15H10N2
Molecular Weight218.26 g/mol
Exact Mass218.08
IUPAC Name2-[(2-cyanophenyl)methyl]benzonitrile
SMILESN#Cc1ccccc1Cc1ccccc1C#N
InChIInChI=1S/C15H10N2/c16-10-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)11-17/h1-8H,9H2
InChIKeySLLDUNKKEWNUDT-UHFFFAOYSA-N
XLogP3.02
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(furan-3-ylmethyl)benzonitrile
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2-[3-(2-cyanophenyl)-2-oxopropyl]benzonitrile
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2-(2-aminoethyl)benzonitrile;hydrochloride
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CID 143152957
2-(2,2-difluoroethyl)benzonitrile
CID 117276458
2-(disulfanylmethyl)benzonitrile
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2-[(1-methyltetrazol-5-yl)methyl]benzonitrile
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benzene-1,2-dicarbonitrile;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanophenyl)methyl]benzonitrile?
The IUPAC name of 2-[(2-cyanophenyl)methyl]benzonitrile (CID 19390291) is 2-[(2-cyanophenyl)methyl]benzonitrile.
What is the SMILES notation for 2-[(2-cyanophenyl)methyl]benzonitrile?
The canonical SMILES for 2-[(2-cyanophenyl)methyl]benzonitrile is N#Cc1ccccc1Cc1ccccc1C#N.
What is the InChIKey of 2-[(2-cyanophenyl)methyl]benzonitrile?
The InChIKey is SLLDUNKKEWNUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2/c16-10-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)11-17/h1-8H,9H2.
What are the key properties of 2-[(2-cyanophenyl)methyl]benzonitrile?
2-[(2-cyanophenyl)methyl]benzonitrile has a molecular weight of 218.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanophenyl)methyl]benzonitrile is sourced from PubChem (CID 19390291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).