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

C7H8N2 — CID 129260230

IUPAC6-methyl-2,3-dihydropyridine-4-carbonitrile
SMILESCC1=NCCC(C#N)=C1
InChIInChI=1S/C7H8N2/c1-6-4-7(5-8)2-3-9-6/h4H,2-3H2,1H3
InChIKeyIYHVWLOCTXEOCR-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.30
Rot. Bonds

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

6-methyl-2,3-dihydropyridine-4-carbonitrile (PubChem CID 129260230) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 6-methyl-2,3-dihydropyridine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2,3-dihydropyridine-4-carbonitrile
PubChem CID129260230
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name6-methyl-2,3-dihydropyridine-4-carbonitrile
SMILESCC1=NCCC(C#N)=C1
InChIInChI=1S/C7H8N2/c1-6-4-7(5-8)2-3-9-6/h4H,2-3H2,1H3
InChIKeyIYHVWLOCTXEOCR-UHFFFAOYSA-N
XLogP1.30
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3-dihydropyridine-4-carbonitrile?
The IUPAC name of 6-methyl-2,3-dihydropyridine-4-carbonitrile (CID 129260230) is 6-methyl-2,3-dihydropyridine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2,3-dihydropyridine-4-carbonitrile?
The canonical SMILES for 6-methyl-2,3-dihydropyridine-4-carbonitrile is CC1=NCCC(C#N)=C1.
What is the InChIKey of 6-methyl-2,3-dihydropyridine-4-carbonitrile?
The InChIKey is IYHVWLOCTXEOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-6-4-7(5-8)2-3-9-6/h4H,2-3H2,1H3.
What are the key properties of 6-methyl-2,3-dihydropyridine-4-carbonitrile?
6-methyl-2,3-dihydropyridine-4-carbonitrile has a molecular weight of 120.15 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3-dihydropyridine-4-carbonitrile is sourced from PubChem (CID 129260230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).