[5-chloro-6-(3-methylsulfonylphenoxy)-3-pyridinyl]methanol

C13H12ClNO4S — CID 61256942

IUPAC[5-chloro-6-(3-methylsulfonylphenoxy)-3-pyridinyl]methanol
SMILESCS(=O)(=O)c1cccc(Oc2ncc(CO)cc2Cl)c1
InChIInChI=1S/C13H12ClNO4S/c1-20(17,18)11-4-2-3-10(6-11)19-13-12(14)5-9(8-16)7-15-13/h2-7,16H,8H2,1H3
InChIKeyVDSSHMIUUDEGGA-UHFFFAOYSA-N
MW313.76 g/mol
LogP2.42
Rot. Bonds4

About [5-chloro-6-(3-methylsulfonylphenoxy)-3-pyridinyl]methanol

[5-chloro-6-(3-methylsulfonylphenoxy)-3-pyridinyl]methanol (PubChem CID 61256942) has the molecular formula C13H12ClNO4S and a molecular weight of 313.76 g/mol. Its IUPAC name is [5-chloro-6-(3-methylsulfonylphenoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-6-(3-methylsulfonylphenoxy)-3-pyridinyl]methanol
PubChem CID61256942
Molecular FormulaC13H12ClNO4S
Molecular Weight313.76 g/mol
Exact Mass313.02
IUPAC Name[5-chloro-6-(3-methylsulfonylphenoxy)-3-pyridinyl]methanol
SMILESCS(=O)(=O)c1cccc(Oc2ncc(CO)cc2Cl)c1
InChIInChI=1S/C13H12ClNO4S/c1-20(17,18)11-4-2-3-10(6-11)19-13-12(14)5-9(8-16)7-15-13/h2-7,16H,8H2,1H3
InChIKeyVDSSHMIUUDEGGA-UHFFFAOYSA-N
XLogP2.42
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-(chloromethyl)-2-(3-methylsulfonylphenoxy)pyridine
CID 61267710
[5-chloro-6-(3-iodophenoxy)-3-pyridinyl]methanol
CID 61255474
3,5-dichloro-6-(3-methylsulfonylphenoxy)pyridin-2-amine
CID 102760799
[5-chloro-6-(3-fluoro-4-methylphenoxy)-3-pyridinyl]methanol
CID 107170106
[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanol
CID 79869651
3-chloro-2-(3-methylsulfonylphenoxy)pyridine-4-carboxylic acid
CID 107063434
[6-(4-bromo-3,5-dimethylphenoxy)-5-chloro-3-pyridinyl]methanol
CID 107725609
3-chloro-6-(3-methylsulfonylphenoxy)pyridazine
CID 54915361
4-(3-methylsulfonylphenoxy)butan-1-ol
CID 43612928
[5-chloro-6-(2,3,5-trimethylphenoxy)-3-pyridinyl]methanol
CID 61256314
[5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol
CID 64721323
3-(3-methylsulfonylphenoxy)pyrazine-2-carbonitrile
CID 60620396

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(3-methylsulfonylphenoxy)-3-pyridinyl]methanol?
The IUPAC name of [5-chloro-6-(3-methylsulfonylphenoxy)-3-pyridinyl]methanol (CID 61256942) is [5-chloro-6-(3-methylsulfonylphenoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-6-(3-methylsulfonylphenoxy)-3-pyridinyl]methanol?
The canonical SMILES for [5-chloro-6-(3-methylsulfonylphenoxy)-3-pyridinyl]methanol is CS(=O)(=O)c1cccc(Oc2ncc(CO)cc2Cl)c1.
What is the InChIKey of [5-chloro-6-(3-methylsulfonylphenoxy)-3-pyridinyl]methanol?
The InChIKey is VDSSHMIUUDEGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4S/c1-20(17,18)11-4-2-3-10(6-11)19-13-12(14)5-9(8-16)7-15-13/h2-7,16H,8H2,1H3.
What are the key properties of [5-chloro-6-(3-methylsulfonylphenoxy)-3-pyridinyl]methanol?
[5-chloro-6-(3-methylsulfonylphenoxy)-3-pyridinyl]methanol has a molecular weight of 313.76 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(3-methylsulfonylphenoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 61256942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).