2-methyl-2,3-dihydropyridine-5-carbonitrile

C7H8N2 — CID 154557351

IUPAC2-methyl-2,3-dihydropyridine-5-carbonitrile
SMILESCC1CC=C(C#N)C=N1
InChIInChI=1S/C7H8N2/c1-6-2-3-7(4-8)5-9-6/h3,5-6H,2H2,1H3
InChIKeyFFARFKXNIYGAMA-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.30
Rot. Bonds

About 2-methyl-2,3-dihydropyridine-5-carbonitrile

2-methyl-2,3-dihydropyridine-5-carbonitrile (PubChem CID 154557351) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 2-methyl-2,3-dihydropyridine-5-carbonitrile.

Molecular Properties

Compound Name2-methyl-2,3-dihydropyridine-5-carbonitrile
PubChem CID154557351
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name2-methyl-2,3-dihydropyridine-5-carbonitrile
SMILESCC1CC=C(C#N)C=N1
InChIInChI=1S/C7H8N2/c1-6-2-3-7(4-8)5-9-6/h3,5-6H,2H2,1H3
InChIKeyFFARFKXNIYGAMA-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 2-methyl-2,3-dihydropyridine-5-carbonitrile?
The IUPAC name of 2-methyl-2,3-dihydropyridine-5-carbonitrile (CID 154557351) is 2-methyl-2,3-dihydropyridine-5-carbonitrile.
What is the SMILES notation for 2-methyl-2,3-dihydropyridine-5-carbonitrile?
The canonical SMILES for 2-methyl-2,3-dihydropyridine-5-carbonitrile is CC1CC=C(C#N)C=N1.
What is the InChIKey of 2-methyl-2,3-dihydropyridine-5-carbonitrile?
The InChIKey is FFARFKXNIYGAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-6-2-3-7(4-8)5-9-6/h3,5-6H,2H2,1H3.
What are the key properties of 2-methyl-2,3-dihydropyridine-5-carbonitrile?
2-methyl-2,3-dihydropyridine-5-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 2-methyl-2,3-dihydropyridine-5-carbonitrile is sourced from PubChem (CID 154557351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).