4-bromo-2,6-diethylpyridine;hydrochloride

C9H13BrClN — CID 127264197

IUPAC4-bromo-2,6-diethylpyridine;hydrochloride
SMILESCCc1cc(Br)cc(CC)n1.Cl
InChIInChI=1S/C9H12BrN.ClH/c1-3-8-5-7(10)6-9(4-2)11-8;/h5-6H,3-4H2,1-2H3;1H
InChIKeyUVHRTPNHRMQOKE-UHFFFAOYSA-N
MW250.57 g/mol
LogP3.39
Rot. Bonds2

About 4-bromo-2,6-diethylpyridine;hydrochloride

4-bromo-2,6-diethylpyridine;hydrochloride (PubChem CID 127264197) has the molecular formula C9H13BrClN and a molecular weight of 250.57 g/mol. Its IUPAC name is 4-bromo-2,6-diethylpyridine;hydrochloride.

Molecular Properties

Compound Name4-bromo-2,6-diethylpyridine;hydrochloride
PubChem CID127264197
Molecular FormulaC9H13BrClN
Molecular Weight250.57 g/mol
Exact Mass248.99
IUPAC Name4-bromo-2,6-diethylpyridine;hydrochloride
SMILESCCc1cc(Br)cc(CC)n1.Cl
InChIInChI=1S/C9H12BrN.ClH/c1-3-8-5-7(10)6-9(4-2)11-8;/h5-6H,3-4H2,1-2H3;1H
InChIKeyUVHRTPNHRMQOKE-UHFFFAOYSA-N
XLogP3.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.57
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-diethylpyridine;hydrochloride?
The IUPAC name of 4-bromo-2,6-diethylpyridine;hydrochloride (CID 127264197) is 4-bromo-2,6-diethylpyridine;hydrochloride.
What is the SMILES notation for 4-bromo-2,6-diethylpyridine;hydrochloride?
The canonical SMILES for 4-bromo-2,6-diethylpyridine;hydrochloride is CCc1cc(Br)cc(CC)n1.Cl.
What is the InChIKey of 4-bromo-2,6-diethylpyridine;hydrochloride?
The InChIKey is UVHRTPNHRMQOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN.ClH/c1-3-8-5-7(10)6-9(4-2)11-8;/h5-6H,3-4H2,1-2H3;1H.
What are the key properties of 4-bromo-2,6-diethylpyridine;hydrochloride?
4-bromo-2,6-diethylpyridine;hydrochloride has a molecular weight of 250.57 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-diethylpyridine;hydrochloride is sourced from PubChem (CID 127264197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).