4-ethyl-3-methyl-2H-pyridine-3-carbonitrile

C9H12N2 — CID 163833741

IUPAC4-ethyl-3-methyl-2H-pyridine-3-carbonitrile
SMILESCCC1=CC=NCC1(C)C#N
InChIInChI=1S/C9H12N2/c1-3-8-4-5-11-7-9(8,2)6-10/h4-5H,3,7H2,1-2H3
InChIKeyOFWXJCUBZPGDAD-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.94
Rot. Bonds1

About 4-ethyl-3-methyl-2H-pyridine-3-carbonitrile

4-ethyl-3-methyl-2H-pyridine-3-carbonitrile (PubChem CID 163833741) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 4-ethyl-3-methyl-2H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-ethyl-3-methyl-2H-pyridine-3-carbonitrile
PubChem CID163833741
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name4-ethyl-3-methyl-2H-pyridine-3-carbonitrile
SMILESCCC1=CC=NCC1(C)C#N
InChIInChI=1S/C9H12N2/c1-3-8-4-5-11-7-9(8,2)6-10/h4-5H,3,7H2,1-2H3
InChIKeyOFWXJCUBZPGDAD-UHFFFAOYSA-N
XLogP1.94
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

4-ethyl-3,3-dimethyl-2H-pyridine
CID 21561178
4-Tert-butyl-2,3-dihydropyridine
CID 59813250
2-(2,3-Dihydropyridin-4-yl)acetonitrile
CID 123602795
(Z)-2,4-dimethyl-6-methyliminohex-4-enenitrile
CID 134379235
4-Methyl-2,3-dihydropyridine-3-carbonitrile
CID 163792828

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-2H-pyridine-3-carbonitrile?
The IUPAC name of 4-ethyl-3-methyl-2H-pyridine-3-carbonitrile (CID 163833741) is 4-ethyl-3-methyl-2H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-ethyl-3-methyl-2H-pyridine-3-carbonitrile?
The canonical SMILES for 4-ethyl-3-methyl-2H-pyridine-3-carbonitrile is CCC1=CC=NCC1(C)C#N.
What is the InChIKey of 4-ethyl-3-methyl-2H-pyridine-3-carbonitrile?
The InChIKey is OFWXJCUBZPGDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-8-4-5-11-7-9(8,2)6-10/h4-5H,3,7H2,1-2H3.
What are the key properties of 4-ethyl-3-methyl-2H-pyridine-3-carbonitrile?
4-ethyl-3-methyl-2H-pyridine-3-carbonitrile has a molecular weight of 148.21 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-2H-pyridine-3-carbonitrile is sourced from PubChem (CID 163833741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).