2-methylpyridine-3-sulfonyl chloride

C6H6ClNO2S — CID 19857572

IUPAC2-methylpyridine-3-sulfonyl chloride
SMILESCc1ncccc1S(=O)(=O)Cl
InChIInChI=1S/C6H6ClNO2S/c1-5-6(11(7,9)10)3-2-4-8-5/h2-4H,1H3
InChIKeyTZPQMFUKALLHAE-UHFFFAOYSA-N
MW191.64 g/mol
LogP1.32
Rot. Bonds1

About 2-methylpyridine-3-sulfonyl chloride

2-methylpyridine-3-sulfonyl chloride (PubChem CID 19857572) has the molecular formula C6H6ClNO2S and a molecular weight of 191.64 g/mol. Its IUPAC name is 2-methylpyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-methylpyridine-3-sulfonyl chloride
PubChem CID19857572
Molecular FormulaC6H6ClNO2S
Molecular Weight191.64 g/mol
Exact Mass190.98
IUPAC Name2-methylpyridine-3-sulfonyl chloride
SMILESCc1ncccc1S(=O)(=O)Cl
InChIInChI=1S/C6H6ClNO2S/c1-5-6(11(7,9)10)3-2-4-8-5/h2-4H,1H3
InChIKeyTZPQMFUKALLHAE-UHFFFAOYSA-N
XLogP1.32
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.64
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methylpyridine
CID 7975
2-Vinylpyridine
CID 7521
3-Pyridinesulfonic acid
CID 69468
2-Ethylpyridine
CID 7523
2-Pyridinemethanethiol
CID 256071
2-Pyridinesulfonic acid
CID 94849
Pralidoxime Mesylate
CID 135476791
3-(1-Pyridinio)-1-propanesulfonate
CID 84929
6-Chloro-N,N-diethylpyridine-3-sulfonamide
CID 2433226
2-Pyridineethanesulfonic acid
CID 96724
3-Mercaptopyridine
CID 27691
6-chloro-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 2433231

Frequently Asked Questions

What is the IUPAC name of 2-methylpyridine-3-sulfonyl chloride?
The IUPAC name of 2-methylpyridine-3-sulfonyl chloride (CID 19857572) is 2-methylpyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-methylpyridine-3-sulfonyl chloride?
The canonical SMILES for 2-methylpyridine-3-sulfonyl chloride is Cc1ncccc1S(=O)(=O)Cl.
What is the InChIKey of 2-methylpyridine-3-sulfonyl chloride?
The InChIKey is TZPQMFUKALLHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2S/c1-5-6(11(7,9)10)3-2-4-8-5/h2-4H,1H3.
What are the key properties of 2-methylpyridine-3-sulfonyl chloride?
2-methylpyridine-3-sulfonyl chloride has a molecular weight of 191.64 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyridine-3-sulfonyl chloride is sourced from PubChem (CID 19857572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).