3-bromo-2-ethyl-1,5-dimethyl-2H-pyridine

C9H14BrN — CID 146392417

IUPAC3-bromo-2-ethyl-1,5-dimethyl-2H-pyridine
SMILESCCC1C(Br)=CC(C)=CN1C
InChIInChI=1S/C9H14BrN/c1-4-9-8(10)5-7(2)6-11(9)3/h5-6,9H,4H2,1-3H3
InChIKeyLGFUFTQTKWCQKB-UHFFFAOYSA-N
MW216.12 g/mol
LogP2.89
Rot. Bonds1

About 3-bromo-2-ethyl-1,5-dimethyl-2H-pyridine

3-bromo-2-ethyl-1,5-dimethyl-2H-pyridine (PubChem CID 146392417) has the molecular formula C9H14BrN and a molecular weight of 216.12 g/mol. Its IUPAC name is 3-bromo-2-ethyl-1,5-dimethyl-2H-pyridine.

Molecular Properties

Compound Name3-bromo-2-ethyl-1,5-dimethyl-2H-pyridine
PubChem CID146392417
Molecular FormulaC9H14BrN
Molecular Weight216.12 g/mol
Exact Mass215.03
IUPAC Name3-bromo-2-ethyl-1,5-dimethyl-2H-pyridine
SMILESCCC1C(Br)=CC(C)=CN1C
InChIInChI=1S/C9H14BrN/c1-4-9-8(10)5-7(2)6-11(9)3/h5-6,9H,4H2,1-3H3
InChIKeyLGFUFTQTKWCQKB-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-ethyl-1,5-dimethyl-2H-pyridine?
The IUPAC name of 3-bromo-2-ethyl-1,5-dimethyl-2H-pyridine (CID 146392417) is 3-bromo-2-ethyl-1,5-dimethyl-2H-pyridine.
What is the SMILES notation for 3-bromo-2-ethyl-1,5-dimethyl-2H-pyridine?
The canonical SMILES for 3-bromo-2-ethyl-1,5-dimethyl-2H-pyridine is CCC1C(Br)=CC(C)=CN1C.
What is the InChIKey of 3-bromo-2-ethyl-1,5-dimethyl-2H-pyridine?
The InChIKey is LGFUFTQTKWCQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN/c1-4-9-8(10)5-7(2)6-11(9)3/h5-6,9H,4H2,1-3H3.
What are the key properties of 3-bromo-2-ethyl-1,5-dimethyl-2H-pyridine?
3-bromo-2-ethyl-1,5-dimethyl-2H-pyridine has a molecular weight of 216.12 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-ethyl-1,5-dimethyl-2H-pyridine is sourced from PubChem (CID 146392417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).