(6-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane

C6H7BrN2OS — CID 134184417

IUPAC(6-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1cccc(Br)n1
InChIInChI=1S/C6H7BrN2OS/c1-11(8,10)6-4-2-3-5(7)9-6/h2-4,8H,1H3
InChIKeyAQIBLVZKUWEOEN-UHFFFAOYSA-N
MW235.11 g/mol
LogP1.88
Rot. Bonds1

About (6-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane

(6-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane (PubChem CID 134184417) has the molecular formula C6H7BrN2OS and a molecular weight of 235.11 g/mol. Its IUPAC name is (6-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(6-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane
PubChem CID134184417
Molecular FormulaC6H7BrN2OS
Molecular Weight235.11 g/mol
Exact Mass233.95
IUPAC Name(6-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1cccc(Br)n1
InChIInChI=1S/C6H7BrN2OS/c1-11(8,10)6-4-2-3-5(7)9-6/h2-4,8H,1H3
InChIKeyAQIBLVZKUWEOEN-UHFFFAOYSA-N
XLogP1.88
TPSA53.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane 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 (6-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of (6-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane (CID 134184417) is (6-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for (6-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for (6-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)c1cccc(Br)n1.
What is the InChIKey of (6-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane?
The InChIKey is AQIBLVZKUWEOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2OS/c1-11(8,10)6-4-2-3-5(7)9-6/h2-4,8H,1H3.
What are the key properties of (6-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane?
(6-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane has a molecular weight of 235.11 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 134184417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).