2-(3-bromo-4-methylsulfonylbutan-2-yl)pyridine

C10H14BrNO2S — CID 66453564

IUPAC2-(3-bromo-4-methylsulfonylbutan-2-yl)pyridine
SMILESCC(c1ccccn1)C(Br)CS(C)(=O)=O
InChIInChI=1S/C10H14BrNO2S/c1-8(9(11)7-15(2,13)14)10-5-3-4-6-12-10/h3-6,8-9H,7H2,1-2H3
InChIKeyZBBXAPCCRIKXHS-UHFFFAOYSA-N
MW292.20 g/mol
LogP1.99
Rot. Bonds4

About 2-(3-bromo-4-methylsulfonylbutan-2-yl)pyridine

2-(3-bromo-4-methylsulfonylbutan-2-yl)pyridine (PubChem CID 66453564) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 2-(3-bromo-4-methylsulfonylbutan-2-yl)pyridine.

Molecular Properties

Compound Name2-(3-bromo-4-methylsulfonylbutan-2-yl)pyridine
PubChem CID66453564
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name2-(3-bromo-4-methylsulfonylbutan-2-yl)pyridine
SMILESCC(c1ccccn1)C(Br)CS(C)(=O)=O
InChIInChI=1S/C10H14BrNO2S/c1-8(9(11)7-15(2,13)14)10-5-3-4-6-12-10/h3-6,8-9H,7H2,1-2H3
InChIKeyZBBXAPCCRIKXHS-UHFFFAOYSA-N
XLogP1.99
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-bromo-4-methylsulfonylbutan-2-yl)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

1-methylsulfonyl-3-pyridin-2-ylbutan-2-amine
CID 66448366
2-methyl-2-methylsulfonyl-4-pyridin-2-ylpentan-3-amine
CID 66447009
2-(2-bromo-3-methylsulfonylpropyl)pyridine
CID 66452236
[(1S)-1-pyridin-2-ylethyl] methanesulfonate
CID 11790238
2-(3-chloro-4-methylsulfonylpentan-2-yl)pyridine
CID 104522952
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
2-(3-bromo-4-ethylhexan-2-yl)pyridine
CID 66453992
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
(1S,2S)-1-pyridin-2-ylpropane-1,2-diol
CID 28766943
(1R)-1-pyridin-2-ylethanesulfonamide
CID 94347246
1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 64629702

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylsulfonylbutan-2-yl)pyridine?
The IUPAC name of 2-(3-bromo-4-methylsulfonylbutan-2-yl)pyridine (CID 66453564) is 2-(3-bromo-4-methylsulfonylbutan-2-yl)pyridine.
What is the SMILES notation for 2-(3-bromo-4-methylsulfonylbutan-2-yl)pyridine?
The canonical SMILES for 2-(3-bromo-4-methylsulfonylbutan-2-yl)pyridine is CC(c1ccccn1)C(Br)CS(C)(=O)=O.
What is the InChIKey of 2-(3-bromo-4-methylsulfonylbutan-2-yl)pyridine?
The InChIKey is ZBBXAPCCRIKXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-8(9(11)7-15(2,13)14)10-5-3-4-6-12-10/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methylsulfonylbutan-2-yl)pyridine?
2-(3-bromo-4-methylsulfonylbutan-2-yl)pyridine has a molecular weight of 292.20 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylsulfonylbutan-2-yl)pyridine is sourced from PubChem (CID 66453564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).