5-bromo-4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride

C6H11BrClN — CID 91654414

IUPAC5-bromo-4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCC1=C(Br)CNCC1.Cl
InChIInChI=1S/C6H10BrN.ClH/c1-5-2-3-8-4-6(5)7;/h8H,2-4H2,1H3;1H
InChIKeyBBHHSXAZXOXURY-UHFFFAOYSA-N
MW212.52 g/mol
LogP2.07
Rot. Bonds

About 5-bromo-4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride

5-bromo-4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride (PubChem CID 91654414) has the molecular formula C6H11BrClN and a molecular weight of 212.52 g/mol. Its IUPAC name is 5-bromo-4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride.

Molecular Properties

Compound Name5-bromo-4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride
PubChem CID91654414
Molecular FormulaC6H11BrClN
Molecular Weight212.52 g/mol
Exact Mass210.98
IUPAC Name5-bromo-4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCC1=C(Br)CNCC1.Cl
InChIInChI=1S/C6H10BrN.ClH/c1-5-2-3-8-4-6(5)7;/h8H,2-4H2,1H3;1H
InChIKeyBBHHSXAZXOXURY-UHFFFAOYSA-N
XLogP2.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.52
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride?
The IUPAC name of 5-bromo-4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride (CID 91654414) is 5-bromo-4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride.
What is the SMILES notation for 5-bromo-4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride?
The canonical SMILES for 5-bromo-4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride is CC1=C(Br)CNCC1.Cl.
What is the InChIKey of 5-bromo-4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride?
The InChIKey is BBHHSXAZXOXURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN.ClH/c1-5-2-3-8-4-6(5)7;/h8H,2-4H2,1H3;1H.
What are the key properties of 5-bromo-4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride?
5-bromo-4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride has a molecular weight of 212.52 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride is sourced from PubChem (CID 91654414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).