5-acetyl-2,6-dimethylpyridine-3-carbonitrile

C10H10N2O — CID 2795948

IUPAC5-acetyl-2,6-dimethylpyridine-3-carbonitrile
SMILESCC(=O)c1cc(C#N)c(C)nc1C
InChIInChI=1S/C10H10N2O/c1-6-9(5-11)4-10(8(3)13)7(2)12-6/h4H,1-3H3
InChIKeyABAJJIVQPQJWNO-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.77
Rot. Bonds1

About 5-acetyl-2,6-dimethylpyridine-3-carbonitrile

5-acetyl-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 2795948) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 5-acetyl-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-2,6-dimethylpyridine-3-carbonitrile
PubChem CID2795948
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name5-acetyl-2,6-dimethylpyridine-3-carbonitrile
SMILESCC(=O)c1cc(C#N)c(C)nc1C
InChIInChI=1S/C10H10N2O/c1-6-9(5-11)4-10(8(3)13)7(2)12-6/h4H,1-3H3
InChIKeyABAJJIVQPQJWNO-UHFFFAOYSA-N
XLogP1.77
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 5-acetyl-2,6-dimethylpyridine-3-carbonitrile (CID 2795948) is 5-acetyl-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 5-acetyl-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 5-acetyl-2,6-dimethylpyridine-3-carbonitrile is CC(=O)c1cc(C#N)c(C)nc1C.
What is the InChIKey of 5-acetyl-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is ABAJJIVQPQJWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-6-9(5-11)4-10(8(3)13)7(2)12-6/h4H,1-3H3.
What are the key properties of 5-acetyl-2,6-dimethylpyridine-3-carbonitrile?
5-acetyl-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 174.20 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 2795948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).