5-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile

C20H16N2 — CID 70842748

IUPAC5-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile
SMILESCc1cnc(-c2ccc(-c3ccccc3)c(C#N)c2)cc1C
InChIInChI=1S/C20H16N2/c1-14-10-20(22-13-15(14)2)17-8-9-19(18(11-17)12-21)16-6-4-3-5-7-16/h3-11,13H,1-2H3
InChIKeyOKBAYSJVFFTQHW-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.90
Rot. Bonds2

About 5-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile

5-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile (PubChem CID 70842748) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile.

Molecular Properties

Compound Name5-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile
PubChem CID70842748
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name5-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile
SMILESCc1cnc(-c2ccc(-c3ccccc3)c(C#N)c2)cc1C
InChIInChI=1S/C20H16N2/c1-14-10-20(22-13-15(14)2)17-8-9-19(18(11-17)12-21)16-6-4-3-5-7-16/h3-11,13H,1-2H3
InChIKeyOKBAYSJVFFTQHW-UHFFFAOYSA-N
XLogP4.90
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile?
The IUPAC name of 5-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile (CID 70842748) is 5-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile.
What is the SMILES notation for 5-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile?
The canonical SMILES for 5-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile is Cc1cnc(-c2ccc(-c3ccccc3)c(C#N)c2)cc1C.
What is the InChIKey of 5-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile?
The InChIKey is OKBAYSJVFFTQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c1-14-10-20(22-13-15(14)2)17-8-9-19(18(11-17)12-21)16-6-4-3-5-7-16/h3-11,13H,1-2H3.
What are the key properties of 5-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile?
5-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile has a molecular weight of 284.36 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile is sourced from PubChem (CID 70842748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).