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

C9H12N2 — CID 129196447

IUPAC2,4,6-trimethyl-2,3-dihydropyridine-3-carbonitrile
SMILESCC1=CC(C)=NC(C)C1C#N
InChIInChI=1S/C9H12N2/c1-6-4-7(2)11-8(3)9(6)5-10/h4,8-9H,1-3H3
InChIKeyMMRUDZCORCRIOC-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.94
Rot. Bonds

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

2,4,6-trimethyl-2,3-dihydropyridine-3-carbonitrile (PubChem CID 129196447) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2,4,6-trimethyl-2,3-dihydropyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4,6-trimethyl-2,3-dihydropyridine-3-carbonitrile
PubChem CID129196447
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2,4,6-trimethyl-2,3-dihydropyridine-3-carbonitrile
SMILESCC1=CC(C)=NC(C)C1C#N
InChIInChI=1S/C9H12N2/c1-6-4-7(2)11-8(3)9(6)5-10/h4,8-9H,1-3H3
InChIKeyMMRUDZCORCRIOC-UHFFFAOYSA-N
XLogP1.94
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-2,3-dihydropyridine-3-carbonitrile?
The IUPAC name of 2,4,6-trimethyl-2,3-dihydropyridine-3-carbonitrile (CID 129196447) is 2,4,6-trimethyl-2,3-dihydropyridine-3-carbonitrile.
What is the SMILES notation for 2,4,6-trimethyl-2,3-dihydropyridine-3-carbonitrile?
The canonical SMILES for 2,4,6-trimethyl-2,3-dihydropyridine-3-carbonitrile is CC1=CC(C)=NC(C)C1C#N.
What is the InChIKey of 2,4,6-trimethyl-2,3-dihydropyridine-3-carbonitrile?
The InChIKey is MMRUDZCORCRIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-6-4-7(2)11-8(3)9(6)5-10/h4,8-9H,1-3H3.
What are the key properties of 2,4,6-trimethyl-2,3-dihydropyridine-3-carbonitrile?
2,4,6-trimethyl-2,3-dihydropyridine-3-carbonitrile has a molecular weight of 148.21 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-2,3-dihydropyridine-3-carbonitrile is sourced from PubChem (CID 129196447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).