2-(hydroxymethyl)-4,6-dimethylpyridine-3-carbonitrile

C9H10N2O — CID 66545162

IUPAC2-(hydroxymethyl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(CO)n1
InChIInChI=1S/C9H10N2O/c1-6-3-7(2)11-9(5-12)8(6)4-10/h3,12H,5H2,1-2H3
InChIKeyLHCUMOUZYGKSHL-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.06
Rot. Bonds1

About 2-(hydroxymethyl)-4,6-dimethylpyridine-3-carbonitrile

2-(hydroxymethyl)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 66545162) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(hydroxymethyl)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID66545162
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-(hydroxymethyl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(CO)n1
InChIInChI=1S/C9H10N2O/c1-6-3-7(2)11-9(5-12)8(6)4-10/h3,12H,5H2,1-2H3
InChIKeyLHCUMOUZYGKSHL-UHFFFAOYSA-N
XLogP1.06
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(hydroxymethyl)-4,6-dimethylpyridine-3-carbonitrile (CID 66545162) is 2-(hydroxymethyl)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(hydroxymethyl)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(hydroxymethyl)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(CO)n1.
What is the InChIKey of 2-(hydroxymethyl)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is LHCUMOUZYGKSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6-3-7(2)11-9(5-12)8(6)4-10/h3,12H,5H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-4,6-dimethylpyridine-3-carbonitrile?
2-(hydroxymethyl)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 162.19 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 66545162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).