6-bromo-2-chloro-5-methylpyridine-3-sulfonyl chloride

C6H4BrCl2NO2S — CID 146372412

IUPAC6-bromo-2-chloro-5-methylpyridine-3-sulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(Cl)nc1Br
InChIInChI=1S/C6H4BrCl2NO2S/c1-3-2-4(13(9,11)12)6(8)10-5(3)7/h2H,1H3
InChIKeyHHOQMKJZCQQDOT-UHFFFAOYSA-N
MW304.98 g/mol
LogP2.73
Rot. Bonds1

About 6-bromo-2-chloro-5-methylpyridine-3-sulfonyl chloride

6-bromo-2-chloro-5-methylpyridine-3-sulfonyl chloride (PubChem CID 146372412) has the molecular formula C6H4BrCl2NO2S and a molecular weight of 304.98 g/mol. Its IUPAC name is 6-bromo-2-chloro-5-methylpyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-bromo-2-chloro-5-methylpyridine-3-sulfonyl chloride
PubChem CID146372412
Molecular FormulaC6H4BrCl2NO2S
Molecular Weight304.98 g/mol
Exact Mass302.85
IUPAC Name6-bromo-2-chloro-5-methylpyridine-3-sulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(Cl)nc1Br
InChIInChI=1S/C6H4BrCl2NO2S/c1-3-2-4(13(9,11)12)6(8)10-5(3)7/h2H,1H3
InChIKeyHHOQMKJZCQQDOT-UHFFFAOYSA-N
XLogP2.73
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.98
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-bromo-2-chloro-5-methylpyridine-3-sulfonyl chloride?
The IUPAC name of 6-bromo-2-chloro-5-methylpyridine-3-sulfonyl chloride (CID 146372412) is 6-bromo-2-chloro-5-methylpyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-bromo-2-chloro-5-methylpyridine-3-sulfonyl chloride?
The canonical SMILES for 6-bromo-2-chloro-5-methylpyridine-3-sulfonyl chloride is Cc1cc(S(=O)(=O)Cl)c(Cl)nc1Br.
What is the InChIKey of 6-bromo-2-chloro-5-methylpyridine-3-sulfonyl chloride?
The InChIKey is HHOQMKJZCQQDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrCl2NO2S/c1-3-2-4(13(9,11)12)6(8)10-5(3)7/h2H,1H3.
What are the key properties of 6-bromo-2-chloro-5-methylpyridine-3-sulfonyl chloride?
6-bromo-2-chloro-5-methylpyridine-3-sulfonyl chloride has a molecular weight of 304.98 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-5-methylpyridine-3-sulfonyl chloride is sourced from PubChem (CID 146372412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).