6-bromo-3-methyl-1,2,3,4-tetrahydropyridine

C6H10BrN — CID 90190086

IUPAC6-bromo-3-methyl-1,2,3,4-tetrahydropyridine
SMILESCC1CC=C(Br)NC1
InChIInChI=1S/C6H10BrN/c1-5-2-3-6(7)8-4-5/h3,5,8H,2,4H2,1H3
InChIKeyFXCRPSAERKLSJS-UHFFFAOYSA-N
MW176.06 g/mol
LogP1.85
Rot. Bonds

About 6-bromo-3-methyl-1,2,3,4-tetrahydropyridine

6-bromo-3-methyl-1,2,3,4-tetrahydropyridine (PubChem CID 90190086) has the molecular formula C6H10BrN and a molecular weight of 176.06 g/mol. Its IUPAC name is 6-bromo-3-methyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name6-bromo-3-methyl-1,2,3,4-tetrahydropyridine
PubChem CID90190086
Molecular FormulaC6H10BrN
Molecular Weight176.06 g/mol
Exact Mass175.00
IUPAC Name6-bromo-3-methyl-1,2,3,4-tetrahydropyridine
SMILESCC1CC=C(Br)NC1
InChIInChI=1S/C6H10BrN/c1-5-2-3-6(7)8-4-5/h3,5,8H,2,4H2,1H3
InChIKeyFXCRPSAERKLSJS-UHFFFAOYSA-N
XLogP1.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.06
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 6-bromo-3-methyl-1,2,3,4-tetrahydropyridine (CID 90190086) is 6-bromo-3-methyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 6-bromo-3-methyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 6-bromo-3-methyl-1,2,3,4-tetrahydropyridine is CC1CC=C(Br)NC1.
What is the InChIKey of 6-bromo-3-methyl-1,2,3,4-tetrahydropyridine?
The InChIKey is FXCRPSAERKLSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN/c1-5-2-3-6(7)8-4-5/h3,5,8H,2,4H2,1H3.
What are the key properties of 6-bromo-3-methyl-1,2,3,4-tetrahydropyridine?
6-bromo-3-methyl-1,2,3,4-tetrahydropyridine has a molecular weight of 176.06 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 90190086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).