4-acetyl-2-methoxy-6-methylpyridine-3-carbonitrile

C10H10N2O2 — CID 121309475

IUPAC4-acetyl-2-methoxy-6-methylpyridine-3-carbonitrile
SMILESCOc1nc(C)cc(C(C)=O)c1C#N
InChIInChI=1S/C10H10N2O2/c1-6-4-8(7(2)13)9(5-11)10(12-6)14-3/h4H,1-3H3
InChIKeyVQJGJXSBFSBBNX-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.47
Rot. Bonds2

About 4-acetyl-2-methoxy-6-methylpyridine-3-carbonitrile

4-acetyl-2-methoxy-6-methylpyridine-3-carbonitrile (PubChem CID 121309475) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-acetyl-2-methoxy-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-acetyl-2-methoxy-6-methylpyridine-3-carbonitrile
PubChem CID121309475
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name4-acetyl-2-methoxy-6-methylpyridine-3-carbonitrile
SMILESCOc1nc(C)cc(C(C)=O)c1C#N
InChIInChI=1S/C10H10N2O2/c1-6-4-8(7(2)13)9(5-11)10(12-6)14-3/h4H,1-3H3
InChIKeyVQJGJXSBFSBBNX-UHFFFAOYSA-N
XLogP1.47
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-2-methoxy-6-methylpyridine-3-carboxamide
CID 130017235
methyl 3-cyano-4,6-dimethylpyridine-2-carboxylate
CID 130298670
2-acetyl-6-fluoro-4-methoxybenzonitrile
CID 131604971
2-acetyl-6-methoxy-4-nitrobenzonitrile
CID 131302593
2-acetyl-6-(difluoromethoxy)-4-methylbenzonitrile
CID 131277260
6-(hydroxymethyl)-2-methoxy-4-methylpyridine-3-carbonitrile
CID 67467633
2-acetyl-4-chloro-6-methylbenzonitrile
CID 171004146
(3-cyano-4,6-dimethyl-2-pyridinyl) 4-methylbenzoate
CID 7573946
(2-methoxy-4,6-dimethyl-3-pyridinyl)boronic acid
CID 86686389
1-(2,5,6-trimethoxy-3-pyridinyl)ethanone
CID 71300170
3-(2-methoxy-6-methyl-3-pyridinyl)-3-oxopropanenitrile
CID 69095655
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetate
CID 7228435

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-methoxy-6-methylpyridine-3-carbonitrile?
The IUPAC name of 4-acetyl-2-methoxy-6-methylpyridine-3-carbonitrile (CID 121309475) is 4-acetyl-2-methoxy-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 4-acetyl-2-methoxy-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 4-acetyl-2-methoxy-6-methylpyridine-3-carbonitrile is COc1nc(C)cc(C(C)=O)c1C#N.
What is the InChIKey of 4-acetyl-2-methoxy-6-methylpyridine-3-carbonitrile?
The InChIKey is VQJGJXSBFSBBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6-4-8(7(2)13)9(5-11)10(12-6)14-3/h4H,1-3H3.
What are the key properties of 4-acetyl-2-methoxy-6-methylpyridine-3-carbonitrile?
4-acetyl-2-methoxy-6-methylpyridine-3-carbonitrile has a molecular weight of 190.20 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-methoxy-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 121309475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).