2-bromo-1-methyl-2H-pyridine-5-sulfonyl chloride

C6H7BrClNO2S — CID 163787609

IUPAC2-bromo-1-methyl-2H-pyridine-5-sulfonyl chloride
SMILESCN1C=C(S(=O)(=O)Cl)C=CC1Br
InChIInChI=1S/C6H7BrClNO2S/c1-9-4-5(12(8,10)11)2-3-6(9)7/h2-4,6H,1H3
InChIKeyMTXGOQGQRXEVNH-UHFFFAOYSA-N
MW272.55 g/mol
LogP1.62
Rot. Bonds1

About 2-bromo-1-methyl-2H-pyridine-5-sulfonyl chloride

2-bromo-1-methyl-2H-pyridine-5-sulfonyl chloride (PubChem CID 163787609) has the molecular formula C6H7BrClNO2S and a molecular weight of 272.55 g/mol. Its IUPAC name is 2-bromo-1-methyl-2H-pyridine-5-sulfonyl chloride.

Molecular Properties

Compound Name2-bromo-1-methyl-2H-pyridine-5-sulfonyl chloride
PubChem CID163787609
Molecular FormulaC6H7BrClNO2S
Molecular Weight272.55 g/mol
Exact Mass270.91
IUPAC Name2-bromo-1-methyl-2H-pyridine-5-sulfonyl chloride
SMILESCN1C=C(S(=O)(=O)Cl)C=CC1Br
InChIInChI=1S/C6H7BrClNO2S/c1-9-4-5(12(8,10)11)2-3-6(9)7/h2-4,6H,1H3
InChIKeyMTXGOQGQRXEVNH-UHFFFAOYSA-N
XLogP1.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.55
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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5-bromopyridine-2-sulfonyl chloride;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-methyl-2H-pyridine-5-sulfonyl chloride?
The IUPAC name of 2-bromo-1-methyl-2H-pyridine-5-sulfonyl chloride (CID 163787609) is 2-bromo-1-methyl-2H-pyridine-5-sulfonyl chloride.
What is the SMILES notation for 2-bromo-1-methyl-2H-pyridine-5-sulfonyl chloride?
The canonical SMILES for 2-bromo-1-methyl-2H-pyridine-5-sulfonyl chloride is CN1C=C(S(=O)(=O)Cl)C=CC1Br.
What is the InChIKey of 2-bromo-1-methyl-2H-pyridine-5-sulfonyl chloride?
The InChIKey is MTXGOQGQRXEVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrClNO2S/c1-9-4-5(12(8,10)11)2-3-6(9)7/h2-4,6H,1H3.
What are the key properties of 2-bromo-1-methyl-2H-pyridine-5-sulfonyl chloride?
2-bromo-1-methyl-2H-pyridine-5-sulfonyl chloride has a molecular weight of 272.55 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-methyl-2H-pyridine-5-sulfonyl chloride is sourced from PubChem (CID 163787609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).