2-[(2-methyl-4-pyridinyl)methyl]benzonitrile

C14H12N2 — CID 166100145

IUPAC2-[(2-methyl-4-pyridinyl)methyl]benzonitrile
SMILESCc1cc(Cc2ccccc2C#N)ccn1
InChIInChI=1S/C14H12N2/c1-11-8-12(6-7-16-11)9-13-4-2-3-5-14(13)10-15/h2-8H,9H2,1H3
InChIKeyOTZWBTOMDPRIFW-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.85
Rot. Bonds2

About 2-[(2-methyl-4-pyridinyl)methyl]benzonitrile

2-[(2-methyl-4-pyridinyl)methyl]benzonitrile (PubChem CID 166100145) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[(2-methyl-4-pyridinyl)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(2-methyl-4-pyridinyl)methyl]benzonitrile
PubChem CID166100145
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name2-[(2-methyl-4-pyridinyl)methyl]benzonitrile
SMILESCc1cc(Cc2ccccc2C#N)ccn1
InChIInChI=1S/C14H12N2/c1-11-8-12(6-7-16-11)9-13-4-2-3-5-14(13)10-15/h2-8H,9H2,1H3
InChIKeyOTZWBTOMDPRIFW-UHFFFAOYSA-N
XLogP2.85
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyanophenyl)methyl]benzonitrile
CID 19390291
2-methyl-4-(pyridin-2-ylmethyl)pyridine
CID 15271106
2-(furan-3-ylmethyl)benzonitrile
CID 101411929
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzonitrile
CID 60722997
2-[(6-methylpyrimidin-4-yl)sulfanylmethyl]benzonitrile
CID 16876398
2-(1H-indazol-5-ylmethyl)benzonitrile
CID 71150352
2-methyl-4-propylpyridine
CID 3358679
2-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzonitrile
CID 166100090
2-[(4-methylimidazol-1-yl)methyl]benzonitrile
CID 68674077
5-methyl-2-[(3-methylphenyl)methyl]benzonitrile
CID 142157739
4-(chloromethyl)-2-methylpyridine
CID 12675262
ethane;4-ethyl-2-methylpyridine
CID 91358383

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-4-pyridinyl)methyl]benzonitrile?
The IUPAC name of 2-[(2-methyl-4-pyridinyl)methyl]benzonitrile (CID 166100145) is 2-[(2-methyl-4-pyridinyl)methyl]benzonitrile.
What is the SMILES notation for 2-[(2-methyl-4-pyridinyl)methyl]benzonitrile?
The canonical SMILES for 2-[(2-methyl-4-pyridinyl)methyl]benzonitrile is Cc1cc(Cc2ccccc2C#N)ccn1.
What is the InChIKey of 2-[(2-methyl-4-pyridinyl)methyl]benzonitrile?
The InChIKey is OTZWBTOMDPRIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-11-8-12(6-7-16-11)9-13-4-2-3-5-14(13)10-15/h2-8H,9H2,1H3.
What are the key properties of 2-[(2-methyl-4-pyridinyl)methyl]benzonitrile?
2-[(2-methyl-4-pyridinyl)methyl]benzonitrile has a molecular weight of 208.26 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-4-pyridinyl)methyl]benzonitrile is sourced from PubChem (CID 166100145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).