4-bromo-3-methylpyridine;hydrochloride

C6H7BrClN — CID 18958774

IUPAC4-bromo-3-methylpyridine;hydrochloride
SMILESCc1cnccc1Br.Cl
InChIInChI=1S/C6H6BrN.ClH/c1-5-4-8-3-2-6(5)7;/h2-4H,1H3;1H
InChIKeyKQFBHVJLZVHFFX-UHFFFAOYSA-N
MW208.49 g/mol
LogP2.57
Rot. Bonds

About 4-bromo-3-methylpyridine;hydrochloride

4-bromo-3-methylpyridine;hydrochloride (PubChem CID 18958774) has the molecular formula C6H7BrClN and a molecular weight of 208.49 g/mol. Its IUPAC name is 4-bromo-3-methylpyridine;hydrochloride.

Molecular Properties

Compound Name4-bromo-3-methylpyridine;hydrochloride
PubChem CID18958774
Molecular FormulaC6H7BrClN
Molecular Weight208.49 g/mol
Exact Mass206.95
IUPAC Name4-bromo-3-methylpyridine;hydrochloride
SMILESCc1cnccc1Br.Cl
InChIInChI=1S/C6H6BrN.ClH/c1-5-4-8-3-2-6(5)7;/h2-4H,1H3;1H
InChIKeyKQFBHVJLZVHFFX-UHFFFAOYSA-N
XLogP2.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.49
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methylpyridine;hydrochloride?
The IUPAC name of 4-bromo-3-methylpyridine;hydrochloride (CID 18958774) is 4-bromo-3-methylpyridine;hydrochloride.
What is the SMILES notation for 4-bromo-3-methylpyridine;hydrochloride?
The canonical SMILES for 4-bromo-3-methylpyridine;hydrochloride is Cc1cnccc1Br.Cl.
What is the InChIKey of 4-bromo-3-methylpyridine;hydrochloride?
The InChIKey is KQFBHVJLZVHFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN.ClH/c1-5-4-8-3-2-6(5)7;/h2-4H,1H3;1H.
What are the key properties of 4-bromo-3-methylpyridine;hydrochloride?
4-bromo-3-methylpyridine;hydrochloride has a molecular weight of 208.49 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methylpyridine;hydrochloride is sourced from PubChem (CID 18958774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).