2-methoxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile

C9H12N2O — CID 58836840

IUPAC2-methoxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile
SMILESCOC1NC(C)=CC(C)=C1C#N
InChIInChI=1S/C9H12N2O/c1-6-4-7(2)11-9(12-3)8(6)5-10/h4,9,11H,1-3H3
InChIKeyBCMSXYZAPZTFEG-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.31
Rot. Bonds1

About 2-methoxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile

2-methoxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile (PubChem CID 58836840) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-methoxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile
PubChem CID58836840
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-methoxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile
SMILESCOC1NC(C)=CC(C)=C1C#N
InChIInChI=1S/C9H12N2O/c1-6-4-7(2)11-9(12-3)8(6)5-10/h4,9,11H,1-3H3
InChIKeyBCMSXYZAPZTFEG-UHFFFAOYSA-N
XLogP1.31
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Fluoro-2-methoxy-4,6-dimethyl-1,2-dihydropyridine
CID 144455677
2-Hydroxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile
CID 58836841
(E)-6-(3-methoxyprop-1-en-2-ylamino)-4-methyl-2-methylidenehex-3-enenitrile
CID 88953899
4-(Methoxymethyl)-6-methyl-1-oxido-1,2-dihydropyridin-1-ium-3-carbonitrile
CID 89542633
4-Ethyl-2-hydroxy-6-methyl-1,2-dihydropyridine-3-carbonitrile
CID 126763284
2-Methoxy-3,6-dimethyl-1,2-dihydropyridine
CID 129042383
6-methoxy-5,6-dihydro-1H-pyrrolo[3,2-c]pyridine
CID 141194149
2,5-dihydro-1H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 141279155
6-(Methoxymethyl)-3,4-dimethyl-1,2-dihydropyridine
CID 142126481
2-Methoxy-3,4,6-trimethyl-1,2-dihydropyridine
CID 142339691
2-Methoxy-5,6-dimethyl-1,2-dihydropyridine
CID 143707434
(E)-3-(5-ethyl-2-methoxy-6-methyl-1,2-dihydropyridin-3-yl)prop-2-enenitrile
CID 10352876

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile?
The IUPAC name of 2-methoxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile (CID 58836840) is 2-methoxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile?
The canonical SMILES for 2-methoxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile is COC1NC(C)=CC(C)=C1C#N.
What is the InChIKey of 2-methoxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile?
The InChIKey is BCMSXYZAPZTFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-4-7(2)11-9(12-3)8(6)5-10/h4,9,11H,1-3H3.
What are the key properties of 2-methoxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile?
2-methoxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile has a molecular weight of 164.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile is sourced from PubChem (CID 58836840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).