(3R)-4,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile

C8H8N2O — CID 7156905

IUPAC(3R)-4,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile
SMILESCC1=CC(C)=NC(=O)[C@H]1C#N
InChIInChI=1S/C8H8N2O/c1-5-3-6(2)10-8(11)7(5)4-9/h3,7H,1-2H3/t7-/m0/s1
InChIKeyHHKIUQXKJVEGLZ-ZETCQYMHSA-N
MW148.16 g/mol
LogP1.07
Rot. Bonds

About (3R)-4,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile

(3R)-4,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile (PubChem CID 7156905) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is (3R)-4,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name(3R)-4,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile
PubChem CID7156905
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name(3R)-4,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile
SMILESCC1=CC(C)=NC(=O)[C@H]1C#N
InChIInChI=1S/C8H8N2O/c1-5-3-6(2)10-8(11)7(5)4-9/h3,7H,1-2H3/t7-/m0/s1
InChIKeyHHKIUQXKJVEGLZ-ZETCQYMHSA-N
XLogP1.07
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-4,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile?
The IUPAC name of (3R)-4,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile (CID 7156905) is (3R)-4,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile.
What is the SMILES notation for (3R)-4,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile?
The canonical SMILES for (3R)-4,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile is CC1=CC(C)=NC(=O)[C@H]1C#N.
What is the InChIKey of (3R)-4,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile?
The InChIKey is HHKIUQXKJVEGLZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H8N2O/c1-5-3-6(2)10-8(11)7(5)4-9/h3,7H,1-2H3/t7-/m0/s1.
What are the key properties of (3R)-4,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile?
(3R)-4,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile has a molecular weight of 148.16 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile is sourced from PubChem (CID 7156905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).