5-methyl-2-(tribromomethylsulfonyl)pyridine

C7H6Br3NO2S — CID 22892605

IUPAC5-methyl-2-(tribromomethylsulfonyl)pyridine
SMILESCc1ccc(S(=O)(=O)C(Br)(Br)Br)nc1
InChIInChI=1S/C7H6Br3NO2S/c1-5-2-3-6(11-4-5)14(12,13)7(8,9)10/h2-4H,1H3
InChIKeyQANBMXZSWGRCNR-UHFFFAOYSA-N
MW407.91 g/mol
LogP2.96
Rot. Bonds1

About 5-methyl-2-(tribromomethylsulfonyl)pyridine

5-methyl-2-(tribromomethylsulfonyl)pyridine (PubChem CID 22892605) has the molecular formula C7H6Br3NO2S and a molecular weight of 407.91 g/mol. Its IUPAC name is 5-methyl-2-(tribromomethylsulfonyl)pyridine.

Molecular Properties

Compound Name5-methyl-2-(tribromomethylsulfonyl)pyridine
PubChem CID22892605
Molecular FormulaC7H6Br3NO2S
Molecular Weight407.91 g/mol
Exact Mass404.77
IUPAC Name5-methyl-2-(tribromomethylsulfonyl)pyridine
SMILESCc1ccc(S(=O)(=O)C(Br)(Br)Br)nc1
InChIInChI=1S/C7H6Br3NO2S/c1-5-2-3-6(11-4-5)14(12,13)7(8,9)10/h2-4H,1H3
InChIKeyQANBMXZSWGRCNR-UHFFFAOYSA-N
XLogP2.96
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.91
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-methyl-2-(tribromomethylsulfonyl)pyridine with MolForge

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

Launch Full Analysis

Related Compounds

potassium (5-methyl-2-pyridinyl)sulfonylazanide
CID 131723992
N,N,5-trimethylpyridine-2-sulfonamide
CID 71646856
1-phenyl-2-[6-(tribromomethylsulfonyl)-3-pyridinyl]hydrazine
CID 23535147
2-(tribromomethylsulfonyl)pyridine
CID 159318212
1-methyl-4-(tribromomethylsulfonyl)benzene
CID 562875
N-benzyl-5-methylpyridine-2-sulfonamide
CID 46201274
6-tert-butylsulfonyl-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 133373480
N-[(4-iodo-3-methylphenyl)methyl]-5-methylpyridine-2-sulfonamide
CID 167825077
N-[3-[(5-methyl-2-pyridinyl)sulfonyl]propyl]acetamide
CID 75482740
tert-butyl (3R)-3-[(5-methyl-2-pyridinyl)sulfonyl]piperidine-1-carboxylate
CID 97176448
ethane;5-methyl-2-methylsulfonylpyrimidine
CID 176693860
sodium N-(5-methyl-2-pyridinyl)sulfamate
CID 102006544

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(tribromomethylsulfonyl)pyridine?
The IUPAC name of 5-methyl-2-(tribromomethylsulfonyl)pyridine (CID 22892605) is 5-methyl-2-(tribromomethylsulfonyl)pyridine.
What is the SMILES notation for 5-methyl-2-(tribromomethylsulfonyl)pyridine?
The canonical SMILES for 5-methyl-2-(tribromomethylsulfonyl)pyridine is Cc1ccc(S(=O)(=O)C(Br)(Br)Br)nc1.
What is the InChIKey of 5-methyl-2-(tribromomethylsulfonyl)pyridine?
The InChIKey is QANBMXZSWGRCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br3NO2S/c1-5-2-3-6(11-4-5)14(12,13)7(8,9)10/h2-4H,1H3.
What are the key properties of 5-methyl-2-(tribromomethylsulfonyl)pyridine?
5-methyl-2-(tribromomethylsulfonyl)pyridine has a molecular weight of 407.91 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(tribromomethylsulfonyl)pyridine is sourced from PubChem (CID 22892605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).