3-ethyl-1-methyl-4H-pyridine

C8H13N — CID 45087178

IUPAC3-ethyl-1-methyl-4H-pyridine
SMILESCCC1=CN(C)C=CC1
InChIInChI=1S/C8H13N/c1-3-8-5-4-6-9(2)7-8/h4,6-7H,3,5H2,1-2H3
InChIKeyHSWOLWFFOGBKCA-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.13
Rot. Bonds1

About 3-ethyl-1-methyl-4H-pyridine

3-ethyl-1-methyl-4H-pyridine (PubChem CID 45087178) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 3-ethyl-1-methyl-4H-pyridine.

Molecular Properties

Compound Name3-ethyl-1-methyl-4H-pyridine
PubChem CID45087178
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name3-ethyl-1-methyl-4H-pyridine
SMILESCCC1=CN(C)C=CC1
InChIInChI=1S/C8H13N/c1-3-8-5-4-6-9(2)7-8/h4,6-7H,3,5H2,1-2H3
InChIKeyHSWOLWFFOGBKCA-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-4H-pyridine?
The IUPAC name of 3-ethyl-1-methyl-4H-pyridine (CID 45087178) is 3-ethyl-1-methyl-4H-pyridine.
What is the SMILES notation for 3-ethyl-1-methyl-4H-pyridine?
The canonical SMILES for 3-ethyl-1-methyl-4H-pyridine is CCC1=CN(C)C=CC1.
What is the InChIKey of 3-ethyl-1-methyl-4H-pyridine?
The InChIKey is HSWOLWFFOGBKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-3-8-5-4-6-9(2)7-8/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-4H-pyridine?
3-ethyl-1-methyl-4H-pyridine has a molecular weight of 123.20 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-4H-pyridine is sourced from PubChem (CID 45087178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).