5-ethyl-1-methyl-2H-pyridine

C8H13N — CID 12506167

IUPAC5-ethyl-1-methyl-2H-pyridine
SMILESCCC1=CN(C)CC=C1
InChIInChI=1S/C8H13N/c1-3-8-5-4-6-9(2)7-8/h4-5,7H,3,6H2,1-2H3
InChIKeyNCKAZHFGFYKKIQ-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.78
Rot. Bonds1

About 5-ethyl-1-methyl-2H-pyridine

5-ethyl-1-methyl-2H-pyridine (PubChem CID 12506167) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 5-ethyl-1-methyl-2H-pyridine.

Molecular Properties

Compound Name5-ethyl-1-methyl-2H-pyridine
PubChem CID12506167
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name5-ethyl-1-methyl-2H-pyridine
SMILESCCC1=CN(C)CC=C1
InChIInChI=1S/C8H13N/c1-3-8-5-4-6-9(2)7-8/h4-5,7H,3,6H2,1-2H3
InChIKeyNCKAZHFGFYKKIQ-UHFFFAOYSA-N
XLogP1.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-ethyl-1-methyl-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-2H-pyridine?
The IUPAC name of 5-ethyl-1-methyl-2H-pyridine (CID 12506167) is 5-ethyl-1-methyl-2H-pyridine.
What is the SMILES notation for 5-ethyl-1-methyl-2H-pyridine?
The canonical SMILES for 5-ethyl-1-methyl-2H-pyridine is CCC1=CN(C)CC=C1.
What is the InChIKey of 5-ethyl-1-methyl-2H-pyridine?
The InChIKey is NCKAZHFGFYKKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-3-8-5-4-6-9(2)7-8/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 5-ethyl-1-methyl-2H-pyridine?
5-ethyl-1-methyl-2H-pyridine has a molecular weight of 123.20 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-2H-pyridine is sourced from PubChem (CID 12506167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).