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

C8H10N2 — CID 161360872

IUPAC2,6-dimethyl-2,3-dihydropyridine-3-carbonitrile
SMILESCC1=NC(C)C(C#N)C=C1
InChIInChI=1S/C8H10N2/c1-6-3-4-8(5-9)7(2)10-6/h3-4,7-8H,1-2H3
InChIKeyVPDQKJKLRQIXBZ-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.55
Rot. Bonds

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

2,6-dimethyl-2,3-dihydropyridine-3-carbonitrile (PubChem CID 161360872) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2,6-dimethyl-2,3-dihydropyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-2,3-dihydropyridine-3-carbonitrile
PubChem CID161360872
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2,6-dimethyl-2,3-dihydropyridine-3-carbonitrile
SMILESCC1=NC(C)C(C#N)C=C1
InChIInChI=1S/C8H10N2/c1-6-3-4-8(5-9)7(2)10-6/h3-4,7-8H,1-2H3
InChIKeyVPDQKJKLRQIXBZ-UHFFFAOYSA-N
XLogP1.55
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2,3-dihydropyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-2,3-dihydropyridine-3-carbonitrile (CID 161360872) is 2,6-dimethyl-2,3-dihydropyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-2,3-dihydropyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-2,3-dihydropyridine-3-carbonitrile is CC1=NC(C)C(C#N)C=C1.
What is the InChIKey of 2,6-dimethyl-2,3-dihydropyridine-3-carbonitrile?
The InChIKey is VPDQKJKLRQIXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-6-3-4-8(5-9)7(2)10-6/h3-4,7-8H,1-2H3.
What are the key properties of 2,6-dimethyl-2,3-dihydropyridine-3-carbonitrile?
2,6-dimethyl-2,3-dihydropyridine-3-carbonitrile has a molecular weight of 134.18 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2,3-dihydropyridine-3-carbonitrile is sourced from PubChem (CID 161360872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).