2-(chloromethylsulfonyl)pyridine

C6H6ClNO2S — CID 54090294

IUPAC2-(chloromethylsulfonyl)pyridine
SMILESO=S(=O)(CCl)c1ccccn1
InChIInChI=1S/C6H6ClNO2S/c7-5-11(9,10)6-3-1-2-4-8-6/h1-4H,5H2
InChIKeyMTJJZNMOJWHATR-UHFFFAOYSA-N
MW191.64 g/mol
LogP1.05
Rot. Bonds2

About 2-(chloromethylsulfonyl)pyridine

2-(chloromethylsulfonyl)pyridine (PubChem CID 54090294) has the molecular formula C6H6ClNO2S and a molecular weight of 191.64 g/mol. Its IUPAC name is 2-(chloromethylsulfonyl)pyridine.

Molecular Properties

Compound Name2-(chloromethylsulfonyl)pyridine
PubChem CID54090294
Molecular FormulaC6H6ClNO2S
Molecular Weight191.64 g/mol
Exact Mass190.98
IUPAC Name2-(chloromethylsulfonyl)pyridine
SMILESO=S(=O)(CCl)c1ccccn1
InChIInChI=1S/C6H6ClNO2S/c7-5-11(9,10)6-3-1-2-4-8-6/h1-4H,5H2
InChIKeyMTJJZNMOJWHATR-UHFFFAOYSA-N
XLogP1.05
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.64
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine
CID 139827432
3-pyridin-2-ylsulfonylpropan-1-ol
CID 54271342
2-but-3-ynylsulfonylpyridine
CID 130666109
N-methyl-2-pyridin-2-ylsulfonylethanamine
CID 71130386
2-propylsulfonylpyridine tetrafluoroborate
CID 175603723
2-[(4-fluorophenyl)methylsulfonyl]pyridine
CID 22764648
barium(2+);bis(pyridine-2-sulfonate)
CID 154925532
CID 175476137
CID 175476137
2,2-dimethyl-3-pyridin-2-ylsulfonylpropanoic acid
CID 116853081
bis(pyridin-2-ylsulfonyl)methanone
CID 129080912
2-(tribromomethylsulfonyl)pyridine
CID 159318212
2-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyridine
CID 47038670

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethylsulfonyl)pyridine?
The IUPAC name of 2-(chloromethylsulfonyl)pyridine (CID 54090294) is 2-(chloromethylsulfonyl)pyridine.
What is the SMILES notation for 2-(chloromethylsulfonyl)pyridine?
The canonical SMILES for 2-(chloromethylsulfonyl)pyridine is O=S(=O)(CCl)c1ccccn1.
What is the InChIKey of 2-(chloromethylsulfonyl)pyridine?
The InChIKey is MTJJZNMOJWHATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2S/c7-5-11(9,10)6-3-1-2-4-8-6/h1-4H,5H2.
What are the key properties of 2-(chloromethylsulfonyl)pyridine?
2-(chloromethylsulfonyl)pyridine has a molecular weight of 191.64 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethylsulfonyl)pyridine is sourced from PubChem (CID 54090294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).