2-bromo-1-methyl-2H-pyridine;hydrobromide

C6H9Br2N — CID 67839666

IUPAC2-bromo-1-methyl-2H-pyridine;hydrobromide
SMILESBr.CN1C=CC=CC1Br
InChIInChI=1S/C6H8BrN.BrH/c1-8-5-3-2-4-6(8)7;/h2-6H,1H3;1H
InChIKeyZLLOLDMXDMEANN-UHFFFAOYSA-N
MW254.95 g/mol
LogP2.30
Rot. Bonds

About 2-bromo-1-methyl-2H-pyridine;hydrobromide

2-bromo-1-methyl-2H-pyridine;hydrobromide (PubChem CID 67839666) has the molecular formula C6H9Br2N and a molecular weight of 254.95 g/mol. Its IUPAC name is 2-bromo-1-methyl-2H-pyridine;hydrobromide.

Molecular Properties

Compound Name2-bromo-1-methyl-2H-pyridine;hydrobromide
PubChem CID67839666
Molecular FormulaC6H9Br2N
Molecular Weight254.95 g/mol
Exact Mass252.91
IUPAC Name2-bromo-1-methyl-2H-pyridine;hydrobromide
SMILESBr.CN1C=CC=CC1Br
InChIInChI=1S/C6H8BrN.BrH/c1-8-5-3-2-4-6(8)7;/h2-6H,1H3;1H
InChIKeyZLLOLDMXDMEANN-UHFFFAOYSA-N
XLogP2.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.95
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-methyl-2H-pyridine;hydrobromide?
The IUPAC name of 2-bromo-1-methyl-2H-pyridine;hydrobromide (CID 67839666) is 2-bromo-1-methyl-2H-pyridine;hydrobromide.
What is the SMILES notation for 2-bromo-1-methyl-2H-pyridine;hydrobromide?
The canonical SMILES for 2-bromo-1-methyl-2H-pyridine;hydrobromide is Br.CN1C=CC=CC1Br.
What is the InChIKey of 2-bromo-1-methyl-2H-pyridine;hydrobromide?
The InChIKey is ZLLOLDMXDMEANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN.BrH/c1-8-5-3-2-4-6(8)7;/h2-6H,1H3;1H.
What are the key properties of 2-bromo-1-methyl-2H-pyridine;hydrobromide?
2-bromo-1-methyl-2H-pyridine;hydrobromide has a molecular weight of 254.95 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-methyl-2H-pyridine;hydrobromide is sourced from PubChem (CID 67839666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).