2-methoxy-4,6-dimethylpyridine-3-carbonitrile

C9H10N2O — CID 595276

IUPAC2-methoxy-4,6-dimethylpyridine-3-carbonitrile
SMILESCOc1nc(C)cc(C)c1C#N
InChIInChI=1S/C9H10N2O/c1-6-4-7(2)11-9(12-3)8(6)5-10/h4H,1-3H3
InChIKeyWEJLKGQPSKTCBR-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.58
Rot. Bonds1

About 2-methoxy-4,6-dimethylpyridine-3-carbonitrile

2-methoxy-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 595276) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-methoxy-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-4,6-dimethylpyridine-3-carbonitrile
PubChem CID595276
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-methoxy-4,6-dimethylpyridine-3-carbonitrile
SMILESCOc1nc(C)cc(C)c1C#N
InChIInChI=1S/C9H10N2O/c1-6-4-7(2)11-9(12-3)8(6)5-10/h4H,1-3H3
InChIKeyWEJLKGQPSKTCBR-UHFFFAOYSA-N
XLogP1.58
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-methoxy-4,6-dimethylpyridine-3-carbonitrile (CID 595276) is 2-methoxy-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-methoxy-4,6-dimethylpyridine-3-carbonitrile is COc1nc(C)cc(C)c1C#N.
What is the InChIKey of 2-methoxy-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is WEJLKGQPSKTCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6-4-7(2)11-9(12-3)8(6)5-10/h4H,1-3H3.
What are the key properties of 2-methoxy-4,6-dimethylpyridine-3-carbonitrile?
2-methoxy-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 162.19 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 595276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).