3,5-dibromo-6-chloro-N-methylpyridin-2-amine

C6H5Br2ClN2 — CID 118705082

IUPAC3,5-dibromo-6-chloro-N-methylpyridin-2-amine
SMILESCNc1nc(Cl)c(Br)cc1Br
InChIInChI=1S/C6H5Br2ClN2/c1-10-6-4(8)2-3(7)5(9)11-6/h2H,1H3,(H,10,11)
InChIKeyWXQFDEPOKDSQLB-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.30
Rot. Bonds1

About 3,5-dibromo-6-chloro-N-methylpyridin-2-amine

3,5-dibromo-6-chloro-N-methylpyridin-2-amine (PubChem CID 118705082) has the molecular formula C6H5Br2ClN2 and a molecular weight of 300.38 g/mol. Its IUPAC name is 3,5-dibromo-6-chloro-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-6-chloro-N-methylpyridin-2-amine
PubChem CID118705082
Molecular FormulaC6H5Br2ClN2
Molecular Weight300.38 g/mol
Exact Mass297.85
IUPAC Name3,5-dibromo-6-chloro-N-methylpyridin-2-amine
SMILESCNc1nc(Cl)c(Br)cc1Br
InChIInChI=1S/C6H5Br2ClN2/c1-10-6-4(8)2-3(7)5(9)11-6/h2H,1H3,(H,10,11)
InChIKeyWXQFDEPOKDSQLB-UHFFFAOYSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3,5-dibromo-6-chloro-N-methylpyridin-2-amine 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 3,5-dibromo-6-chloro-N-methylpyridin-2-amine?
The IUPAC name of 3,5-dibromo-6-chloro-N-methylpyridin-2-amine (CID 118705082) is 3,5-dibromo-6-chloro-N-methylpyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-6-chloro-N-methylpyridin-2-amine?
The canonical SMILES for 3,5-dibromo-6-chloro-N-methylpyridin-2-amine is CNc1nc(Cl)c(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-6-chloro-N-methylpyridin-2-amine?
The InChIKey is WXQFDEPOKDSQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2ClN2/c1-10-6-4(8)2-3(7)5(9)11-6/h2H,1H3,(H,10,11).
What are the key properties of 3,5-dibromo-6-chloro-N-methylpyridin-2-amine?
3,5-dibromo-6-chloro-N-methylpyridin-2-amine has a molecular weight of 300.38 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-6-chloro-N-methylpyridin-2-amine is sourced from PubChem (CID 118705082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).