3-bromo-2,4,6-trimethylpyridine;hydrochloride

C8H11BrClN — CID 122360781

IUPAC3-bromo-2,4,6-trimethylpyridine;hydrochloride
SMILESCc1cc(C)c(Br)c(C)n1.Cl
InChIInChI=1S/C8H10BrN.ClH/c1-5-4-6(2)10-7(3)8(5)9;/h4H,1-3H3;1H
InChIKeyKIPUTAYOSRCADA-UHFFFAOYSA-N
MW236.54 g/mol
LogP3.19
Rot. Bonds

About 3-bromo-2,4,6-trimethylpyridine;hydrochloride

3-bromo-2,4,6-trimethylpyridine;hydrochloride (PubChem CID 122360781) has the molecular formula C8H11BrClN and a molecular weight of 236.54 g/mol. Its IUPAC name is 3-bromo-2,4,6-trimethylpyridine;hydrochloride.

Molecular Properties

Compound Name3-bromo-2,4,6-trimethylpyridine;hydrochloride
PubChem CID122360781
Molecular FormulaC8H11BrClN
Molecular Weight236.54 g/mol
Exact Mass234.98
IUPAC Name3-bromo-2,4,6-trimethylpyridine;hydrochloride
SMILESCc1cc(C)c(Br)c(C)n1.Cl
InChIInChI=1S/C8H10BrN.ClH/c1-5-4-6(2)10-7(3)8(5)9;/h4H,1-3H3;1H
InChIKeyKIPUTAYOSRCADA-UHFFFAOYSA-N
XLogP3.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.54
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,4,6-trimethylpyridine;hydrochloride?
The IUPAC name of 3-bromo-2,4,6-trimethylpyridine;hydrochloride (CID 122360781) is 3-bromo-2,4,6-trimethylpyridine;hydrochloride.
What is the SMILES notation for 3-bromo-2,4,6-trimethylpyridine;hydrochloride?
The canonical SMILES for 3-bromo-2,4,6-trimethylpyridine;hydrochloride is Cc1cc(C)c(Br)c(C)n1.Cl.
What is the InChIKey of 3-bromo-2,4,6-trimethylpyridine;hydrochloride?
The InChIKey is KIPUTAYOSRCADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN.ClH/c1-5-4-6(2)10-7(3)8(5)9;/h4H,1-3H3;1H.
What are the key properties of 3-bromo-2,4,6-trimethylpyridine;hydrochloride?
3-bromo-2,4,6-trimethylpyridine;hydrochloride has a molecular weight of 236.54 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,4,6-trimethylpyridine;hydrochloride is sourced from PubChem (CID 122360781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).