6-(2-methylpropyl)-2-oxo-3H-pyridine-3-carbonitrile

C10H12N2O — CID 13240379

IUPAC6-(2-methylpropyl)-2-oxo-3H-pyridine-3-carbonitrile
SMILESCC(C)CC1=NC(=O)C(C#N)C=C1
InChIInChI=1S/C10H12N2O/c1-7(2)5-9-4-3-8(6-11)10(13)12-9/h3-4,7-8H,5H2,1-2H3
InChIKeyZOVPQVRVVBLVBX-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.71
Rot. Bonds2

About 6-(2-methylpropyl)-2-oxo-3H-pyridine-3-carbonitrile

6-(2-methylpropyl)-2-oxo-3H-pyridine-3-carbonitrile (PubChem CID 13240379) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-(2-methylpropyl)-2-oxo-3H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-methylpropyl)-2-oxo-3H-pyridine-3-carbonitrile
PubChem CID13240379
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name6-(2-methylpropyl)-2-oxo-3H-pyridine-3-carbonitrile
SMILESCC(C)CC1=NC(=O)C(C#N)C=C1
InChIInChI=1S/C10H12N2O/c1-7(2)5-9-4-3-8(6-11)10(13)12-9/h3-4,7-8H,5H2,1-2H3
InChIKeyZOVPQVRVVBLVBX-UHFFFAOYSA-N
XLogP1.71
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2,2-dimethylpropyl)-3H-pyridin-2-one
CID 56662613
6-methyl-2-oxo-3H-pyridine-3-carbonitrile
CID 57236360
6-Isopropylpyridin-2(3H)-one
CID 118968929
N,4-dimethyl-5-oxohept-2-enimidoyl cyanide
CID 123481194
5,6-di(propan-2-yl)-3H-pyridin-2-one
CID 171046396
2-oxo-6-(4-propylcyclohexyl)-3H-pyridine-3-carbonitrile
CID 4626504
4-methyl-2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile
CID 15421487
2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile
CID 15421492
5,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile
CID 71303629
5-iodo-2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile
CID 71651483
6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile
CID 72734068
6-tert-butyl-2-oxo-3H-pyridine-3-carbonitrile
CID 73177817

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-2-oxo-3H-pyridine-3-carbonitrile?
The IUPAC name of 6-(2-methylpropyl)-2-oxo-3H-pyridine-3-carbonitrile (CID 13240379) is 6-(2-methylpropyl)-2-oxo-3H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-methylpropyl)-2-oxo-3H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-methylpropyl)-2-oxo-3H-pyridine-3-carbonitrile is CC(C)CC1=NC(=O)C(C#N)C=C1.
What is the InChIKey of 6-(2-methylpropyl)-2-oxo-3H-pyridine-3-carbonitrile?
The InChIKey is ZOVPQVRVVBLVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7(2)5-9-4-3-8(6-11)10(13)12-9/h3-4,7-8H,5H2,1-2H3.
What are the key properties of 6-(2-methylpropyl)-2-oxo-3H-pyridine-3-carbonitrile?
6-(2-methylpropyl)-2-oxo-3H-pyridine-3-carbonitrile has a molecular weight of 176.22 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-2-oxo-3H-pyridine-3-carbonitrile is sourced from PubChem (CID 13240379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).