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

C8H10N2 — CID 143620826

IUPAC2,4-dimethyl-2,3-dihydropyridine-6-carbonitrile
SMILESCC1=CC(C#N)=NC(C)C1
InChIInChI=1S/C8H10N2/c1-6-3-7(2)10-8(4-6)5-9/h4,7H,3H2,1-2H3
InChIKeyVSCIWAIYYXPBOX-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.69
Rot. Bonds

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

2,4-dimethyl-2,3-dihydropyridine-6-carbonitrile (PubChem CID 143620826) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2,4-dimethyl-2,3-dihydropyridine-6-carbonitrile.

Molecular Properties

Compound Name2,4-dimethyl-2,3-dihydropyridine-6-carbonitrile
PubChem CID143620826
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2,4-dimethyl-2,3-dihydropyridine-6-carbonitrile
SMILESCC1=CC(C#N)=NC(C)C1
InChIInChI=1S/C8H10N2/c1-6-3-7(2)10-8(4-6)5-9/h4,7H,3H2,1-2H3
InChIKeyVSCIWAIYYXPBOX-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethylimino-4-methyl-pent-3-enenitrile
CID 572298
6-Isobutyl-4-methyl-5,6-dihydro-pyridine-2-carbonitrile
CID 577148
4-Pentenenitrile, 4-methyl-2-([3,7-dimethyl-2,6-octadienylidene]amino)
CID 5365914
2,4,6-Trimethyl-2,3-dihydropyridine
CID 53631314
(2S)-2-methyl-2,3-dihydropyridine-6-carbonitrile
CID 67991669
2-Ethyl-4,6-dimethyl-2,3-dihydropyridine
CID 68383572
5,6-Dimethyl-2,3-dihydropyridine-3-carbonitrile
CID 69510804
5,6-Dimethyl-2-propyl-2,3-dihydropyridine
CID 123350584
5-Ethyl-6-methyl-2-propyl-2,3-dihydropyridine
CID 123737991
4,6-dimethyl-3-methylidene-2-propa-1,2-dienyl-2H-pyridine
CID 123878577
2,7-dimethyl-3,4-dihydro-2H-azepine-6-carbonitrile
CID 123918081
5-Ethyl-2,6-dimethyl-2,3-dihydropyridine
CID 123979509

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2,3-dihydropyridine-6-carbonitrile?
The IUPAC name of 2,4-dimethyl-2,3-dihydropyridine-6-carbonitrile (CID 143620826) is 2,4-dimethyl-2,3-dihydropyridine-6-carbonitrile.
What is the SMILES notation for 2,4-dimethyl-2,3-dihydropyridine-6-carbonitrile?
The canonical SMILES for 2,4-dimethyl-2,3-dihydropyridine-6-carbonitrile is CC1=CC(C#N)=NC(C)C1.
What is the InChIKey of 2,4-dimethyl-2,3-dihydropyridine-6-carbonitrile?
The InChIKey is VSCIWAIYYXPBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-6-3-7(2)10-8(4-6)5-9/h4,7H,3H2,1-2H3.
What are the key properties of 2,4-dimethyl-2,3-dihydropyridine-6-carbonitrile?
2,4-dimethyl-2,3-dihydropyridine-6-carbonitrile has a molecular weight of 134.18 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2,3-dihydropyridine-6-carbonitrile is sourced from PubChem (CID 143620826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).