2-(4-propan-2-ylphenyl)pyridine-4-carbonitrile

C15H14N2 — CID 117001817

IUPAC2-(4-propan-2-ylphenyl)pyridine-4-carbonitrile
SMILESCC(C)c1ccc(-c2cc(C#N)ccn2)cc1
InChIInChI=1S/C15H14N2/c1-11(2)13-3-5-14(6-4-13)15-9-12(10-16)7-8-17-15/h3-9,11H,1-2H3
InChIKeyDWVDAKVVVNUWIV-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.74
Rot. Bonds2

About 2-(4-propan-2-ylphenyl)pyridine-4-carbonitrile

2-(4-propan-2-ylphenyl)pyridine-4-carbonitrile (PubChem CID 117001817) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)pyridine-4-carbonitrile
PubChem CID117001817
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name2-(4-propan-2-ylphenyl)pyridine-4-carbonitrile
SMILESCC(C)c1ccc(-c2cc(C#N)ccn2)cc1
InChIInChI=1S/C15H14N2/c1-11(2)13-3-5-14(6-4-13)15-9-12(10-16)7-8-17-15/h3-9,11H,1-2H3
InChIKeyDWVDAKVVVNUWIV-UHFFFAOYSA-N
XLogP3.74
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-propan-2-yloxyphenyl)pyridine-4-carbonitrile
CID 117001819
2-pyridin-4-ylpyridine-4-carbonitrile
CID 46315387
2-[2-(4-chlorophenyl)-4-pyridinyl]pyridine-4-carbonitrile
CID 162406878
4-tert-butyl-2-(4-propan-2-ylphenyl)pyridine
CID 178179780
2-[4-(1H-pyrazol-5-yl)phenyl]pyridine-4-carbonitrile
CID 56700738
2-[5-[3,5-bis[6-(4-cyano-2-pyridinyl)-3-pyridinyl]phenyl]-2-pyridinyl]pyridine-4-carbonitrile
CID 118397873
2-(4-phenylphenyl)-4-(4-propan-2-ylphenyl)pyridine
CID 140599873
2-[7-(4-cyano-2-pyridinyl)pyren-2-yl]pyridine-4-carbonitrile
CID 118398062
2-(3-methylphenyl)pyridine-4-carbonitrile
CID 102306874
2-[4-[3,5-bis[4-(5-cyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-4-carbonitrile
CID 126542641
2-[4-[6-[4-(4-cyano-2-pyridinyl)phenyl]pyren-1-yl]phenyl]pyridine-4-carbonitrile
CID 126542243
N-ethyl-2-(4-propan-2-ylphenyl)pyridin-4-amine
CID 102824735

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)pyridine-4-carbonitrile?
The IUPAC name of 2-(4-propan-2-ylphenyl)pyridine-4-carbonitrile (CID 117001817) is 2-(4-propan-2-ylphenyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(4-propan-2-ylphenyl)pyridine-4-carbonitrile is CC(C)c1ccc(-c2cc(C#N)ccn2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)pyridine-4-carbonitrile?
The InChIKey is DWVDAKVVVNUWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-11(2)13-3-5-14(6-4-13)15-9-12(10-16)7-8-17-15/h3-9,11H,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenyl)pyridine-4-carbonitrile?
2-(4-propan-2-ylphenyl)pyridine-4-carbonitrile has a molecular weight of 222.29 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)pyridine-4-carbonitrile is sourced from PubChem (CID 117001817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).