2-(2-oxo-6-propan-2-yl-1H-pyridin-3-yl)acetonitrile

C10H12N2O — CID 82524660

IUPAC2-(2-oxo-6-propan-2-yl-1H-pyridin-3-yl)acetonitrile
SMILESCC(C)c1ccc(CC#N)c(=O)[nH]1
InChIInChI=1S/C10H12N2O/c1-7(2)9-4-3-8(5-6-11)10(13)12-9/h3-4,7H,5H2,1-2H3,(H,12,13)
InChIKeyVPTNOMSRLZXMMX-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.56
Rot. Bonds2

About 2-(2-oxo-6-propan-2-yl-1H-pyridin-3-yl)acetonitrile

2-(2-oxo-6-propan-2-yl-1H-pyridin-3-yl)acetonitrile (PubChem CID 82524660) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(2-oxo-6-propan-2-yl-1H-pyridin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-oxo-6-propan-2-yl-1H-pyridin-3-yl)acetonitrile
PubChem CID82524660
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-(2-oxo-6-propan-2-yl-1H-pyridin-3-yl)acetonitrile
SMILESCC(C)c1ccc(CC#N)c(=O)[nH]1
InChIInChI=1S/C10H12N2O/c1-7(2)9-4-3-8(5-6-11)10(13)12-9/h3-4,7H,5H2,1-2H3,(H,12,13)
InChIKeyVPTNOMSRLZXMMX-UHFFFAOYSA-N
XLogP1.56
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-(2,4-dimethylphenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 82520358
5-propan-2-yl-1H-pyrrole-2-carbonitrile
CID 141018308
3-[(1R)-1-aminoethyl]-6-propan-2-yl-1H-pyridin-2-one
CID 96689933
2-[3-chloro-6-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 130072580
N-methyl-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 171444803
2-[1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)-3-pyridinyl]acetonitrile
CID 82520396
2-[6-(3-nitrophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 82517135
2-[6-amino-5-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130104792
2-(1-butan-2-yl-6-methyl-2-oxo-3-pyridinyl)acetonitrile
CID 82525085
2-[1-(2-methoxyethyl)-2-oxo-6-propan-2-yl-3-pyridinyl]acetonitrile
CID 82524085
2-[5-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130084556
2-oxo-4-pentan-3-yl-6-propan-2-yl-1H-pyridine-3-carbonitrile
CID 164663154

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-6-propan-2-yl-1H-pyridin-3-yl)acetonitrile?
The IUPAC name of 2-(2-oxo-6-propan-2-yl-1H-pyridin-3-yl)acetonitrile (CID 82524660) is 2-(2-oxo-6-propan-2-yl-1H-pyridin-3-yl)acetonitrile.
What is the SMILES notation for 2-(2-oxo-6-propan-2-yl-1H-pyridin-3-yl)acetonitrile?
The canonical SMILES for 2-(2-oxo-6-propan-2-yl-1H-pyridin-3-yl)acetonitrile is CC(C)c1ccc(CC#N)c(=O)[nH]1.
What is the InChIKey of 2-(2-oxo-6-propan-2-yl-1H-pyridin-3-yl)acetonitrile?
The InChIKey is VPTNOMSRLZXMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7(2)9-4-3-8(5-6-11)10(13)12-9/h3-4,7H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-oxo-6-propan-2-yl-1H-pyridin-3-yl)acetonitrile?
2-(2-oxo-6-propan-2-yl-1H-pyridin-3-yl)acetonitrile has a molecular weight of 176.22 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-6-propan-2-yl-1H-pyridin-3-yl)acetonitrile is sourced from PubChem (CID 82524660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).