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

C8H10N2 — CID 118486772

IUPAC4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile
SMILESCC1=CC(C)=C(C#N)CN1
InChIInChI=1S/C8H10N2/c1-6-3-7(2)10-5-8(6)4-9/h3,10H,5H2,1-2H3
InChIKeyZZFWVMBACQUTIR-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.33
Rot. Bonds

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

4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile (PubChem CID 118486772) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile
PubChem CID118486772
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile
SMILESCC1=CC(C)=C(C#N)CN1
InChIInChI=1S/C8H10N2/c1-6-3-7(2)10-5-8(6)4-9/h3,10H,5H2,1-2H3
InChIKeyZZFWVMBACQUTIR-UHFFFAOYSA-N
XLogP1.33
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile (CID 118486772) is 4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile is CC1=CC(C)=C(C#N)CN1.
What is the InChIKey of 4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile?
The InChIKey is ZZFWVMBACQUTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-6-3-7(2)10-5-8(6)4-9/h3,10H,5H2,1-2H3.
What are the key properties of 4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile?
4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile has a molecular weight of 134.18 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile is sourced from PubChem (CID 118486772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).