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

C8H13N — CID 141118741

IUPAC2-ethyl-1-methyl-2H-pyridine
SMILESCCC1C=CC=CN1C
InChIInChI=1S/C8H13N/c1-3-8-6-4-5-7-9(8)2/h4-8H,3H2,1-2H3
InChIKeyHBGVDRFDCWCCMS-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.78
Rot. Bonds1

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

2-ethyl-1-methyl-2H-pyridine (PubChem CID 141118741) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-ethyl-1-methyl-2H-pyridine.

Molecular Properties

Compound Name2-ethyl-1-methyl-2H-pyridine
PubChem CID141118741
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-ethyl-1-methyl-2H-pyridine
SMILESCCC1C=CC=CN1C
InChIInChI=1S/C8H13N/c1-3-8-6-4-5-7-9(8)2/h4-8H,3H2,1-2H3
InChIKeyHBGVDRFDCWCCMS-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 2-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 2-ethyl-1-methyl-2H-pyridine?
The IUPAC name of 2-ethyl-1-methyl-2H-pyridine (CID 141118741) is 2-ethyl-1-methyl-2H-pyridine.
What is the SMILES notation for 2-ethyl-1-methyl-2H-pyridine?
The canonical SMILES for 2-ethyl-1-methyl-2H-pyridine is CCC1C=CC=CN1C.
What is the InChIKey of 2-ethyl-1-methyl-2H-pyridine?
The InChIKey is HBGVDRFDCWCCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-3-8-6-4-5-7-9(8)2/h4-8H,3H2,1-2H3.
What are the key properties of 2-ethyl-1-methyl-2H-pyridine?
2-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 2-ethyl-1-methyl-2H-pyridine is sourced from PubChem (CID 141118741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).