[4-(4-methylsulfonylphenoxy)-2-pyridinyl]methanol

C13H13NO4S — CID 61257761

IUPAC[4-(4-methylsulfonylphenoxy)-2-pyridinyl]methanol
SMILESCS(=O)(=O)c1ccc(Oc2ccnc(CO)c2)cc1
InChIInChI=1S/C13H13NO4S/c1-19(16,17)13-4-2-11(3-5-13)18-12-6-7-14-10(8-12)9-15/h2-8,15H,9H2,1H3
InChIKeyBHGWQZKFEKNUCH-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.77
Rot. Bonds4

About [4-(4-methylsulfonylphenoxy)-2-pyridinyl]methanol

[4-(4-methylsulfonylphenoxy)-2-pyridinyl]methanol (PubChem CID 61257761) has the molecular formula C13H13NO4S and a molecular weight of 279.32 g/mol. Its IUPAC name is [4-(4-methylsulfonylphenoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(4-methylsulfonylphenoxy)-2-pyridinyl]methanol
PubChem CID61257761
Molecular FormulaC13H13NO4S
Molecular Weight279.32 g/mol
Exact Mass279.06
IUPAC Name[4-(4-methylsulfonylphenoxy)-2-pyridinyl]methanol
SMILESCS(=O)(=O)c1ccc(Oc2ccnc(CO)c2)cc1
InChIInChI=1S/C13H13NO4S/c1-19(16,17)13-4-2-11(3-5-13)18-12-6-7-14-10(8-12)9-15/h2-8,15H,9H2,1H3
InChIKeyBHGWQZKFEKNUCH-UHFFFAOYSA-N
XLogP1.77
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-phenylphenoxy)-2-pyridinyl]methanol
CID 61255006
[4-(3,5-dichlorophenoxy)-2-pyridinyl]methanol
CID 61256108
(4-pyridin-3-yloxy-2-pyridinyl)methanol
CID 61255855
(4-butoxy-2-pyridinyl)methanol
CID 61256357
[4-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 43806811
[4-(1H-inden-5-yloxy)-2-pyridinyl]methanol
CID 153263864
2-chloro-4-(4-methylsulfonylphenoxy)pyrimidine
CID 53486073
2-ethoxy-4-(4-methylsulfonylphenoxy)aniline
CID 63676144
[4-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]methanesulfonamide
CID 134586819
2-methyl-1-[2-(4-methylsulfonylphenoxy)-4-pyridinyl]propan-1-one
CID 71021136
[2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine
CID 43806809
[4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol
CID 61256974

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylsulfonylphenoxy)-2-pyridinyl]methanol?
The IUPAC name of [4-(4-methylsulfonylphenoxy)-2-pyridinyl]methanol (CID 61257761) is [4-(4-methylsulfonylphenoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [4-(4-methylsulfonylphenoxy)-2-pyridinyl]methanol?
The canonical SMILES for [4-(4-methylsulfonylphenoxy)-2-pyridinyl]methanol is CS(=O)(=O)c1ccc(Oc2ccnc(CO)c2)cc1.
What is the InChIKey of [4-(4-methylsulfonylphenoxy)-2-pyridinyl]methanol?
The InChIKey is BHGWQZKFEKNUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S/c1-19(16,17)13-4-2-11(3-5-13)18-12-6-7-14-10(8-12)9-15/h2-8,15H,9H2,1H3.
What are the key properties of [4-(4-methylsulfonylphenoxy)-2-pyridinyl]methanol?
[4-(4-methylsulfonylphenoxy)-2-pyridinyl]methanol has a molecular weight of 279.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylsulfonylphenoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 61257761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).