6-bromo-1-methyl-2H-pyridine

C6H8BrN — CID 56610307

IUPAC6-bromo-1-methyl-2H-pyridine
SMILESCN1CC=CC=C1Br
InChIInChI=1S/C6H8BrN/c1-8-5-3-2-4-6(8)7/h2-4H,5H2,1H3
InChIKeyRWKJGGKAFDZDON-UHFFFAOYSA-N
MW174.04 g/mol
LogP1.72
Rot. Bonds

About 6-bromo-1-methyl-2H-pyridine

6-bromo-1-methyl-2H-pyridine (PubChem CID 56610307) has the molecular formula C6H8BrN and a molecular weight of 174.04 g/mol. Its IUPAC name is 6-bromo-1-methyl-2H-pyridine.

Molecular Properties

Compound Name6-bromo-1-methyl-2H-pyridine
PubChem CID56610307
Molecular FormulaC6H8BrN
Molecular Weight174.04 g/mol
Exact Mass172.98
IUPAC Name6-bromo-1-methyl-2H-pyridine
SMILESCN1CC=CC=C1Br
InChIInChI=1S/C6H8BrN/c1-8-5-3-2-4-6(8)7/h2-4H,5H2,1H3
InChIKeyRWKJGGKAFDZDON-UHFFFAOYSA-N
XLogP1.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.04
LogP ≤ 51.72
H-Bond Donors ≤ 50
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-1-methyl-2H-pyridine?
The IUPAC name of 6-bromo-1-methyl-2H-pyridine (CID 56610307) is 6-bromo-1-methyl-2H-pyridine.
What is the SMILES notation for 6-bromo-1-methyl-2H-pyridine?
The canonical SMILES for 6-bromo-1-methyl-2H-pyridine is CN1CC=CC=C1Br.
What is the InChIKey of 6-bromo-1-methyl-2H-pyridine?
The InChIKey is RWKJGGKAFDZDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN/c1-8-5-3-2-4-6(8)7/h2-4H,5H2,1H3.
What are the key properties of 6-bromo-1-methyl-2H-pyridine?
6-bromo-1-methyl-2H-pyridine has a molecular weight of 174.04 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methyl-2H-pyridine is sourced from PubChem (CID 56610307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).