2-cyano-5-methylpyridine-4-sulfonyl chloride

C7H5ClN2O2S — CID 58133680

IUPAC2-cyano-5-methylpyridine-4-sulfonyl chloride
SMILESCc1cnc(C#N)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H5ClN2O2S/c1-5-4-10-6(3-9)2-7(5)13(8,11)12/h2,4H,1H3
InChIKeyHPSXXIHDKOQDQD-UHFFFAOYSA-N
MW216.65 g/mol
LogP1.19
Rot. Bonds1

About 2-cyano-5-methylpyridine-4-sulfonyl chloride

2-cyano-5-methylpyridine-4-sulfonyl chloride (PubChem CID 58133680) has the molecular formula C7H5ClN2O2S and a molecular weight of 216.65 g/mol. Its IUPAC name is 2-cyano-5-methylpyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name2-cyano-5-methylpyridine-4-sulfonyl chloride
PubChem CID58133680
Molecular FormulaC7H5ClN2O2S
Molecular Weight216.65 g/mol
Exact Mass215.98
IUPAC Name2-cyano-5-methylpyridine-4-sulfonyl chloride
SMILESCc1cnc(C#N)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H5ClN2O2S/c1-5-4-10-6(3-9)2-7(5)13(8,11)12/h2,4H,1H3
InChIKeyHPSXXIHDKOQDQD-UHFFFAOYSA-N
XLogP1.19
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.65
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-5-methylpyridine-4-sulfonyl chloride?
The IUPAC name of 2-cyano-5-methylpyridine-4-sulfonyl chloride (CID 58133680) is 2-cyano-5-methylpyridine-4-sulfonyl chloride.
What is the SMILES notation for 2-cyano-5-methylpyridine-4-sulfonyl chloride?
The canonical SMILES for 2-cyano-5-methylpyridine-4-sulfonyl chloride is Cc1cnc(C#N)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-cyano-5-methylpyridine-4-sulfonyl chloride?
The InChIKey is HPSXXIHDKOQDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O2S/c1-5-4-10-6(3-9)2-7(5)13(8,11)12/h2,4H,1H3.
What are the key properties of 2-cyano-5-methylpyridine-4-sulfonyl chloride?
2-cyano-5-methylpyridine-4-sulfonyl chloride has a molecular weight of 216.65 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-5-methylpyridine-4-sulfonyl chloride is sourced from PubChem (CID 58133680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).