2-methoxy-6-methylpyridine-3-carbonitrile

C8H8N2O — CID 5323803

IUPAC2-methoxy-6-methylpyridine-3-carbonitrile
SMILESCOc1nc(C)ccc1C#N
InChIInChI=1S/C8H8N2O/c1-6-3-4-7(5-9)8(10-6)11-2/h3-4H,1-2H3
InChIKeyIDUHMLQSIWHQKZ-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.27
Rot. Bonds1

About 2-methoxy-6-methylpyridine-3-carbonitrile

2-methoxy-6-methylpyridine-3-carbonitrile (PubChem CID 5323803) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-methoxy-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-6-methylpyridine-3-carbonitrile
PubChem CID5323803
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name2-methoxy-6-methylpyridine-3-carbonitrile
SMILESCOc1nc(C)ccc1C#N
InChIInChI=1S/C8H8N2O/c1-6-3-4-7(5-9)8(10-6)11-2/h3-4H,1-2H3
InChIKeyIDUHMLQSIWHQKZ-UHFFFAOYSA-N
XLogP1.27
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-methoxy-6-methylpyridine-3-carbonitrile (CID 5323803) is 2-methoxy-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-methoxy-6-methylpyridine-3-carbonitrile is COc1nc(C)ccc1C#N.
What is the InChIKey of 2-methoxy-6-methylpyridine-3-carbonitrile?
The InChIKey is IDUHMLQSIWHQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-6-3-4-7(5-9)8(10-6)11-2/h3-4H,1-2H3.
What are the key properties of 2-methoxy-6-methylpyridine-3-carbonitrile?
2-methoxy-6-methylpyridine-3-carbonitrile has a molecular weight of 148.16 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 5323803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).