(2-chloro-6-methyl-4-pyridinyl)methanesulfonyl chloride

C7H7Cl2NO2S — CID 131090584

IUPAC(2-chloro-6-methyl-4-pyridinyl)methanesulfonyl chloride
SMILESCc1cc(CS(=O)(=O)Cl)cc(Cl)n1
InChIInChI=1S/C7H7Cl2NO2S/c1-5-2-6(3-7(8)10-5)4-13(9,11)12/h2-3H,4H2,1H3
InChIKeyNLBFUTPESPTSSX-UHFFFAOYSA-N
MW240.11 g/mol
LogP2.11
Rot. Bonds2

About (2-chloro-6-methyl-4-pyridinyl)methanesulfonyl chloride

(2-chloro-6-methyl-4-pyridinyl)methanesulfonyl chloride (PubChem CID 131090584) has the molecular formula C7H7Cl2NO2S and a molecular weight of 240.11 g/mol. Its IUPAC name is (2-chloro-6-methyl-4-pyridinyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2-chloro-6-methyl-4-pyridinyl)methanesulfonyl chloride
PubChem CID131090584
Molecular FormulaC7H7Cl2NO2S
Molecular Weight240.11 g/mol
Exact Mass238.96
IUPAC Name(2-chloro-6-methyl-4-pyridinyl)methanesulfonyl chloride
SMILESCc1cc(CS(=O)(=O)Cl)cc(Cl)n1
InChIInChI=1S/C7H7Cl2NO2S/c1-5-2-6(3-7(8)10-5)4-13(9,11)12/h2-3H,4H2,1H3
InChIKeyNLBFUTPESPTSSX-UHFFFAOYSA-N
XLogP2.11
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.11
LogP ≤ 52.11
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 (2-chloro-6-methyl-4-pyridinyl)methanesulfonyl chloride?
The IUPAC name of (2-chloro-6-methyl-4-pyridinyl)methanesulfonyl chloride (CID 131090584) is (2-chloro-6-methyl-4-pyridinyl)methanesulfonyl chloride.
What is the SMILES notation for (2-chloro-6-methyl-4-pyridinyl)methanesulfonyl chloride?
The canonical SMILES for (2-chloro-6-methyl-4-pyridinyl)methanesulfonyl chloride is Cc1cc(CS(=O)(=O)Cl)cc(Cl)n1.
What is the InChIKey of (2-chloro-6-methyl-4-pyridinyl)methanesulfonyl chloride?
The InChIKey is NLBFUTPESPTSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO2S/c1-5-2-6(3-7(8)10-5)4-13(9,11)12/h2-3H,4H2,1H3.
What are the key properties of (2-chloro-6-methyl-4-pyridinyl)methanesulfonyl chloride?
(2-chloro-6-methyl-4-pyridinyl)methanesulfonyl chloride has a molecular weight of 240.11 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methyl-4-pyridinyl)methanesulfonyl chloride is sourced from PubChem (CID 131090584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).