3,3-dibromo-2,6-dichloro-4-methyl-2H-pyridine

C6H5Br2Cl2N — CID 66850558

IUPAC3,3-dibromo-2,6-dichloro-4-methyl-2H-pyridine
SMILESCC1=CC(Cl)=NC(Cl)C1(Br)Br
InChIInChI=1S/C6H5Br2Cl2N/c1-3-2-4(9)11-5(10)6(3,7)8/h2,5H,1H3
InChIKeyCVRAXBCXVLJSCN-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.63
Rot. Bonds

About 3,3-dibromo-2,6-dichloro-4-methyl-2H-pyridine

3,3-dibromo-2,6-dichloro-4-methyl-2H-pyridine (PubChem CID 66850558) has the molecular formula C6H5Br2Cl2N and a molecular weight of 321.83 g/mol. Its IUPAC name is 3,3-dibromo-2,6-dichloro-4-methyl-2H-pyridine.

Molecular Properties

Compound Name3,3-dibromo-2,6-dichloro-4-methyl-2H-pyridine
PubChem CID66850558
Molecular FormulaC6H5Br2Cl2N
Molecular Weight321.83 g/mol
Exact Mass318.82
IUPAC Name3,3-dibromo-2,6-dichloro-4-methyl-2H-pyridine
SMILESCC1=CC(Cl)=NC(Cl)C1(Br)Br
InChIInChI=1S/C6H5Br2Cl2N/c1-3-2-4(9)11-5(10)6(3,7)8/h2,5H,1H3
InChIKeyCVRAXBCXVLJSCN-UHFFFAOYSA-N
XLogP3.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.63
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'}

Analyze 3,3-dibromo-2,6-dichloro-4-methyl-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dibromo-2,6-dichloro-4-methyl-2H-pyridine?
The IUPAC name of 3,3-dibromo-2,6-dichloro-4-methyl-2H-pyridine (CID 66850558) is 3,3-dibromo-2,6-dichloro-4-methyl-2H-pyridine.
What is the SMILES notation for 3,3-dibromo-2,6-dichloro-4-methyl-2H-pyridine?
The canonical SMILES for 3,3-dibromo-2,6-dichloro-4-methyl-2H-pyridine is CC1=CC(Cl)=NC(Cl)C1(Br)Br.
What is the InChIKey of 3,3-dibromo-2,6-dichloro-4-methyl-2H-pyridine?
The InChIKey is CVRAXBCXVLJSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2Cl2N/c1-3-2-4(9)11-5(10)6(3,7)8/h2,5H,1H3.
What are the key properties of 3,3-dibromo-2,6-dichloro-4-methyl-2H-pyridine?
3,3-dibromo-2,6-dichloro-4-methyl-2H-pyridine has a molecular weight of 321.83 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dibromo-2,6-dichloro-4-methyl-2H-pyridine is sourced from PubChem (CID 66850558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).