4-(3-methylsulfonylphenyl)pyridine;hydrochloride

C12H12ClNO2S — CID 170341986

IUPAC4-(3-methylsulfonylphenyl)pyridine;hydrochloride
SMILESCS(=O)(=O)c1cccc(-c2ccncc2)c1.Cl
InChIInChI=1S/C12H11NO2S.ClH/c1-16(14,15)12-4-2-3-11(9-12)10-5-7-13-8-6-10;/h2-9H,1H3;1H
InChIKeyYMGLKZWWVRDGDK-UHFFFAOYSA-N
MW269.75 g/mol
LogP2.57
Rot. Bonds2

About 4-(3-methylsulfonylphenyl)pyridine;hydrochloride

4-(3-methylsulfonylphenyl)pyridine;hydrochloride (PubChem CID 170341986) has the molecular formula C12H12ClNO2S and a molecular weight of 269.75 g/mol. Its IUPAC name is 4-(3-methylsulfonylphenyl)pyridine;hydrochloride.

Molecular Properties

Compound Name4-(3-methylsulfonylphenyl)pyridine;hydrochloride
PubChem CID170341986
Molecular FormulaC12H12ClNO2S
Molecular Weight269.75 g/mol
Exact Mass269.03
IUPAC Name4-(3-methylsulfonylphenyl)pyridine;hydrochloride
SMILESCS(=O)(=O)c1cccc(-c2ccncc2)c1.Cl
InChIInChI=1S/C12H11NO2S.ClH/c1-16(14,15)12-4-2-3-11(9-12)10-5-7-13-8-6-10;/h2-9H,1H3;1H
InChIKeyYMGLKZWWVRDGDK-UHFFFAOYSA-N
XLogP2.57
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylsulfonylphenyl)pyridine;hydrochloride
CID 53406635
4-(4-methylsulfonylphenyl)pyridine
CID 119085244
4-(3-methylsulfonylphenyl)pyridine-2-carboxylic acid
CID 53224214
1,2-difluoro-4-(3-methylsulfonylphenyl)benzene
CID 57118843
3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine
CID 90162283
2-(3-methylsulfonylphenyl)thiophene
CID 141164326
(3-pyridin-4-ylphenyl)methyl methanesulfonate
CID 86634122
(1R)-1-[3-(3-methylsulfonylphenyl)phenyl]ethanamine
CID 171383542
3-methoxy-5-[4-(3-methylsulfonylphenyl)phenyl]-1H-pyrazole
CID 144804199
3-bromo-4-methyl-5-(3-methylsulfonylphenyl)pyridine
CID 170459888
2-bromo-5-(3-methylsulfonylphenyl)phenol
CID 171383332
4-bromo-2-(3-methylsulfonylphenyl)thiophene
CID 68877839

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfonylphenyl)pyridine;hydrochloride?
The IUPAC name of 4-(3-methylsulfonylphenyl)pyridine;hydrochloride (CID 170341986) is 4-(3-methylsulfonylphenyl)pyridine;hydrochloride.
What is the SMILES notation for 4-(3-methylsulfonylphenyl)pyridine;hydrochloride?
The canonical SMILES for 4-(3-methylsulfonylphenyl)pyridine;hydrochloride is CS(=O)(=O)c1cccc(-c2ccncc2)c1.Cl.
What is the InChIKey of 4-(3-methylsulfonylphenyl)pyridine;hydrochloride?
The InChIKey is YMGLKZWWVRDGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S.ClH/c1-16(14,15)12-4-2-3-11(9-12)10-5-7-13-8-6-10;/h2-9H,1H3;1H.
What are the key properties of 4-(3-methylsulfonylphenyl)pyridine;hydrochloride?
4-(3-methylsulfonylphenyl)pyridine;hydrochloride has a molecular weight of 269.75 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfonylphenyl)pyridine;hydrochloride is sourced from PubChem (CID 170341986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).