2,3-dibromo-3-methyl-2H-pyridine

C6H7Br2N — CID 70207114

IUPAC2,3-dibromo-3-methyl-2H-pyridine
SMILESCC1(Br)C=CC=NC1Br
InChIInChI=1S/C6H7Br2N/c1-6(8)3-2-4-9-5(6)7/h2-5H,1H3
InChIKeyPCMONKCKHWFGOR-UHFFFAOYSA-N
MW252.94 g/mol
LogP2.50
Rot. Bonds

About 2,3-dibromo-3-methyl-2H-pyridine

2,3-dibromo-3-methyl-2H-pyridine (PubChem CID 70207114) has the molecular formula C6H7Br2N and a molecular weight of 252.94 g/mol. Its IUPAC name is 2,3-dibromo-3-methyl-2H-pyridine.

Molecular Properties

Compound Name2,3-dibromo-3-methyl-2H-pyridine
PubChem CID70207114
Molecular FormulaC6H7Br2N
Molecular Weight252.94 g/mol
Exact Mass250.89
IUPAC Name2,3-dibromo-3-methyl-2H-pyridine
SMILESCC1(Br)C=CC=NC1Br
InChIInChI=1S/C6H7Br2N/c1-6(8)3-2-4-9-5(6)7/h2-5H,1H3
InChIKeyPCMONKCKHWFGOR-UHFFFAOYSA-N
XLogP2.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.94
LogP ≤ 52.50
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 2,3-dibromo-3-methyl-2H-pyridine?
The IUPAC name of 2,3-dibromo-3-methyl-2H-pyridine (CID 70207114) is 2,3-dibromo-3-methyl-2H-pyridine.
What is the SMILES notation for 2,3-dibromo-3-methyl-2H-pyridine?
The canonical SMILES for 2,3-dibromo-3-methyl-2H-pyridine is CC1(Br)C=CC=NC1Br.
What is the InChIKey of 2,3-dibromo-3-methyl-2H-pyridine?
The InChIKey is PCMONKCKHWFGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Br2N/c1-6(8)3-2-4-9-5(6)7/h2-5H,1H3.
What are the key properties of 2,3-dibromo-3-methyl-2H-pyridine?
2,3-dibromo-3-methyl-2H-pyridine has a molecular weight of 252.94 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-3-methyl-2H-pyridine is sourced from PubChem (CID 70207114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).