3-bromo-4-ethyl-1-methyl-2H-pyridine

C8H12BrN — CID 146392401

IUPAC3-bromo-4-ethyl-1-methyl-2H-pyridine
SMILESCCC1=C(Br)CN(C)C=C1
InChIInChI=1S/C8H12BrN/c1-3-7-4-5-10(2)6-8(7)9/h4-5H,3,6H2,1-2H3
InChIKeyZRJSFHZFZOZJJU-UHFFFAOYSA-N
MW202.09 g/mol
LogP2.50
Rot. Bonds1

About 3-bromo-4-ethyl-1-methyl-2H-pyridine

3-bromo-4-ethyl-1-methyl-2H-pyridine (PubChem CID 146392401) has the molecular formula C8H12BrN and a molecular weight of 202.09 g/mol. Its IUPAC name is 3-bromo-4-ethyl-1-methyl-2H-pyridine.

Molecular Properties

Compound Name3-bromo-4-ethyl-1-methyl-2H-pyridine
PubChem CID146392401
Molecular FormulaC8H12BrN
Molecular Weight202.09 g/mol
Exact Mass201.02
IUPAC Name3-bromo-4-ethyl-1-methyl-2H-pyridine
SMILESCCC1=C(Br)CN(C)C=C1
InChIInChI=1S/C8H12BrN/c1-3-7-4-5-10(2)6-8(7)9/h4-5H,3,6H2,1-2H3
InChIKeyZRJSFHZFZOZJJU-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.09
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethyl-1-methyl-2H-pyridine?
The IUPAC name of 3-bromo-4-ethyl-1-methyl-2H-pyridine (CID 146392401) is 3-bromo-4-ethyl-1-methyl-2H-pyridine.
What is the SMILES notation for 3-bromo-4-ethyl-1-methyl-2H-pyridine?
The canonical SMILES for 3-bromo-4-ethyl-1-methyl-2H-pyridine is CCC1=C(Br)CN(C)C=C1.
What is the InChIKey of 3-bromo-4-ethyl-1-methyl-2H-pyridine?
The InChIKey is ZRJSFHZFZOZJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN/c1-3-7-4-5-10(2)6-8(7)9/h4-5H,3,6H2,1-2H3.
What are the key properties of 3-bromo-4-ethyl-1-methyl-2H-pyridine?
3-bromo-4-ethyl-1-methyl-2H-pyridine has a molecular weight of 202.09 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethyl-1-methyl-2H-pyridine is sourced from PubChem (CID 146392401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).