(2-bromo-6-methylsulfonyl-4-pyridinyl)methanamine

C7H9BrN2O2S — CID 87232369

IUPAC(2-bromo-6-methylsulfonyl-4-pyridinyl)methanamine
SMILESCS(=O)(=O)c1cc(CN)cc(Br)n1
InChIInChI=1S/C7H9BrN2O2S/c1-13(11,12)7-3-5(4-9)2-6(8)10-7/h2-3H,4,9H2,1H3
InChIKeyGGHURULBIVLBTP-UHFFFAOYSA-N
MW265.13 g/mol
LogP0.71
Rot. Bonds2

About (2-bromo-6-methylsulfonyl-4-pyridinyl)methanamine

(2-bromo-6-methylsulfonyl-4-pyridinyl)methanamine (PubChem CID 87232369) has the molecular formula C7H9BrN2O2S and a molecular weight of 265.13 g/mol. Its IUPAC name is (2-bromo-6-methylsulfonyl-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(2-bromo-6-methylsulfonyl-4-pyridinyl)methanamine
PubChem CID87232369
Molecular FormulaC7H9BrN2O2S
Molecular Weight265.13 g/mol
Exact Mass263.96
IUPAC Name(2-bromo-6-methylsulfonyl-4-pyridinyl)methanamine
SMILESCS(=O)(=O)c1cc(CN)cc(Br)n1
InChIInChI=1S/C7H9BrN2O2S/c1-13(11,12)7-3-5(4-9)2-6(8)10-7/h2-3H,4,9H2,1H3
InChIKeyGGHURULBIVLBTP-UHFFFAOYSA-N
XLogP0.71
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-bromo-6-methylsulfonyl-4-pyridinyl)methanamine 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 (2-bromo-6-methylsulfonyl-4-pyridinyl)methanamine?
The IUPAC name of (2-bromo-6-methylsulfonyl-4-pyridinyl)methanamine (CID 87232369) is (2-bromo-6-methylsulfonyl-4-pyridinyl)methanamine.
What is the SMILES notation for (2-bromo-6-methylsulfonyl-4-pyridinyl)methanamine?
The canonical SMILES for (2-bromo-6-methylsulfonyl-4-pyridinyl)methanamine is CS(=O)(=O)c1cc(CN)cc(Br)n1.
What is the InChIKey of (2-bromo-6-methylsulfonyl-4-pyridinyl)methanamine?
The InChIKey is GGHURULBIVLBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2S/c1-13(11,12)7-3-5(4-9)2-6(8)10-7/h2-3H,4,9H2,1H3.
What are the key properties of (2-bromo-6-methylsulfonyl-4-pyridinyl)methanamine?
(2-bromo-6-methylsulfonyl-4-pyridinyl)methanamine has a molecular weight of 265.13 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-methylsulfonyl-4-pyridinyl)methanamine is sourced from PubChem (CID 87232369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).