2-bromo-6-methylsulfonylpyridin-3-amine

C6H7BrN2O2S — CID 56773886

IUPAC2-bromo-6-methylsulfonylpyridin-3-amine
SMILESCS(=O)(=O)c1ccc(N)c(Br)n1
InChIInChI=1S/C6H7BrN2O2S/c1-12(10,11)5-3-2-4(8)6(7)9-5/h2-3H,8H2,1H3
InChIKeyUFWKPDJZNWPTPW-UHFFFAOYSA-N
MW251.10 g/mol
LogP0.83
Rot. Bonds1

About 2-bromo-6-methylsulfonylpyridin-3-amine

2-bromo-6-methylsulfonylpyridin-3-amine (PubChem CID 56773886) has the molecular formula C6H7BrN2O2S and a molecular weight of 251.10 g/mol. Its IUPAC name is 2-bromo-6-methylsulfonylpyridin-3-amine.

Molecular Properties

Compound Name2-bromo-6-methylsulfonylpyridin-3-amine
PubChem CID56773886
Molecular FormulaC6H7BrN2O2S
Molecular Weight251.10 g/mol
Exact Mass249.94
IUPAC Name2-bromo-6-methylsulfonylpyridin-3-amine
SMILESCS(=O)(=O)c1ccc(N)c(Br)n1
InChIInChI=1S/C6H7BrN2O2S/c1-12(10,11)5-3-2-4(8)6(7)9-5/h2-3H,8H2,1H3
InChIKeyUFWKPDJZNWPTPW-UHFFFAOYSA-N
XLogP0.83
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.10
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methylsulfonylpyridin-3-amine?
The IUPAC name of 2-bromo-6-methylsulfonylpyridin-3-amine (CID 56773886) is 2-bromo-6-methylsulfonylpyridin-3-amine.
What is the SMILES notation for 2-bromo-6-methylsulfonylpyridin-3-amine?
The canonical SMILES for 2-bromo-6-methylsulfonylpyridin-3-amine is CS(=O)(=O)c1ccc(N)c(Br)n1.
What is the InChIKey of 2-bromo-6-methylsulfonylpyridin-3-amine?
The InChIKey is UFWKPDJZNWPTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2S/c1-12(10,11)5-3-2-4(8)6(7)9-5/h2-3H,8H2,1H3.
What are the key properties of 2-bromo-6-methylsulfonylpyridin-3-amine?
2-bromo-6-methylsulfonylpyridin-3-amine has a molecular weight of 251.10 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methylsulfonylpyridin-3-amine is sourced from PubChem (CID 56773886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).