3-(3-methylsulfonylphenyl)pyridine;hydrochloride

C12H12ClNO2S — CID 53406635

IUPAC3-(3-methylsulfonylphenyl)pyridine;hydrochloride
SMILESCS(=O)(=O)c1cccc(-c2cccnc2)c1.Cl
InChIInChI=1S/C12H11NO2S.ClH/c1-16(14,15)12-6-2-4-10(8-12)11-5-3-7-13-9-11;/h2-9H,1H3;1H
InChIKeySULWTVZJDFBBFF-UHFFFAOYSA-N
MW269.75 g/mol
LogP2.57
Rot. Bonds2

About 3-(3-methylsulfonylphenyl)pyridine;hydrochloride

3-(3-methylsulfonylphenyl)pyridine;hydrochloride (PubChem CID 53406635) has the molecular formula C12H12ClNO2S and a molecular weight of 269.75 g/mol. Its IUPAC name is 3-(3-methylsulfonylphenyl)pyridine;hydrochloride.

Molecular Properties

Compound Name3-(3-methylsulfonylphenyl)pyridine;hydrochloride
PubChem CID53406635
Molecular FormulaC12H12ClNO2S
Molecular Weight269.75 g/mol
Exact Mass269.03
IUPAC Name3-(3-methylsulfonylphenyl)pyridine;hydrochloride
SMILESCS(=O)(=O)c1cccc(-c2cccnc2)c1.Cl
InChIInChI=1S/C12H11NO2S.ClH/c1-16(14,15)12-6-2-4-10(8-12)11-5-3-7-13-9-11;/h2-9H,1H3;1H
InChIKeySULWTVZJDFBBFF-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

4-(3-methylsulfonylphenyl)pyridine;hydrochloride
CID 170341986
4-methyl-6-(3-methylsulfonylphenyl)-5-pyridin-3-ylpyrimidin-2-amine
CID 70671365
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
cyclopenta[c]azepine
CID 638010
3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;propane
CID 144612655
[5-(3-methylsulfonyl-5-pyridin-3-ylphenyl)sulfonylthiophen-2-yl]methanamine;dihydrochloride
CID 130344905
4-(3-methylsulfonylphenyl)pyridine-2-carboxylic acid
CID 53224214
2-methyl-6-(3-methylsulfonylphenyl)-1,3-benzothiazole;1-pyridin-3-ylethanone
CID 143885546
3-pyridin-3-ylaniline;dihydrochloride
CID 21146183
1,2-difluoro-4-(3-methylsulfonylphenyl)benzene
CID 57118843
3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine
CID 90162283
3-bromo-4-methyl-5-(3-methylsulfonylphenyl)pyridine
CID 170459888

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfonylphenyl)pyridine;hydrochloride?
The IUPAC name of 3-(3-methylsulfonylphenyl)pyridine;hydrochloride (CID 53406635) is 3-(3-methylsulfonylphenyl)pyridine;hydrochloride.
What is the SMILES notation for 3-(3-methylsulfonylphenyl)pyridine;hydrochloride?
The canonical SMILES for 3-(3-methylsulfonylphenyl)pyridine;hydrochloride is CS(=O)(=O)c1cccc(-c2cccnc2)c1.Cl.
What is the InChIKey of 3-(3-methylsulfonylphenyl)pyridine;hydrochloride?
The InChIKey is SULWTVZJDFBBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S.ClH/c1-16(14,15)12-6-2-4-10(8-12)11-5-3-7-13-9-11;/h2-9H,1H3;1H.
What are the key properties of 3-(3-methylsulfonylphenyl)pyridine;hydrochloride?
3-(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 3-(3-methylsulfonylphenyl)pyridine;hydrochloride is sourced from PubChem (CID 53406635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).