6-ethoxy-4-methylpyridine-3-carbonitrile

C9H10N2O — CID 84618208

IUPAC6-ethoxy-4-methylpyridine-3-carbonitrile
SMILESCCOc1cc(C)c(C#N)cn1
InChIInChI=1S/C9H10N2O/c1-3-12-9-4-7(2)8(5-10)6-11-9/h4,6H,3H2,1-2H3
InChIKeyDNUVHQRYTWJYKK-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.66
Rot. Bonds2

About 6-ethoxy-4-methylpyridine-3-carbonitrile

6-ethoxy-4-methylpyridine-3-carbonitrile (PubChem CID 84618208) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 6-ethoxy-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethoxy-4-methylpyridine-3-carbonitrile
PubChem CID84618208
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name6-ethoxy-4-methylpyridine-3-carbonitrile
SMILESCCOc1cc(C)c(C#N)cn1
InChIInChI=1S/C9H10N2O/c1-3-12-9-4-7(2)8(5-10)6-11-9/h4,6H,3H2,1-2H3
InChIKeyDNUVHQRYTWJYKK-UHFFFAOYSA-N
XLogP1.66
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-methylpyridine-3-carbonitrile?
The IUPAC name of 6-ethoxy-4-methylpyridine-3-carbonitrile (CID 84618208) is 6-ethoxy-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-ethoxy-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-ethoxy-4-methylpyridine-3-carbonitrile is CCOc1cc(C)c(C#N)cn1.
What is the InChIKey of 6-ethoxy-4-methylpyridine-3-carbonitrile?
The InChIKey is DNUVHQRYTWJYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-3-12-9-4-7(2)8(5-10)6-11-9/h4,6H,3H2,1-2H3.
What are the key properties of 6-ethoxy-4-methylpyridine-3-carbonitrile?
6-ethoxy-4-methylpyridine-3-carbonitrile has a molecular weight of 162.19 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 84618208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).