[4-(5-hydroxy-2-pyridinyl)phenyl]methanesulfinic acid

C12H11NO3S — CID 174604479

IUPAC[4-(5-hydroxy-2-pyridinyl)phenyl]methanesulfinic acid
SMILESO=S(O)Cc1ccc(-c2ccc(O)cn2)cc1
InChIInChI=1S/C12H11NO3S/c14-11-5-6-12(13-7-11)10-3-1-9(2-4-10)8-17(15)16/h1-7,14H,8H2,(H,15,16)
InChIKeyZILBSRVJAMGACT-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.18
Rot. Bonds3

About [4-(5-hydroxy-2-pyridinyl)phenyl]methanesulfinic acid

[4-(5-hydroxy-2-pyridinyl)phenyl]methanesulfinic acid (PubChem CID 174604479) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is [4-(5-hydroxy-2-pyridinyl)phenyl]methanesulfinic acid.

Molecular Properties

Compound Name[4-(5-hydroxy-2-pyridinyl)phenyl]methanesulfinic acid
PubChem CID174604479
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name[4-(5-hydroxy-2-pyridinyl)phenyl]methanesulfinic acid
SMILESO=S(O)Cc1ccc(-c2ccc(O)cn2)cc1
InChIInChI=1S/C12H11NO3S/c14-11-5-6-12(13-7-11)10-3-1-9(2-4-10)8-17(15)16/h1-7,14H,8H2,(H,15,16)
InChIKeyZILBSRVJAMGACT-UHFFFAOYSA-N
XLogP2.18
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

(4-pyridin-2-ylphenyl)methanesulfinic acid
CID 174730201
1-[4-(5-hydroxy-2-pyridinyl)phenyl]propan-1-one
CID 174654711
6-(5-hydroxy-2-pyridinyl)pyridin-3-ol
CID 135830900
6-(6-methoxy-3-pyridinyl)pyridin-3-ol
CID 83128352
[4-(6-methyl-2-pyridinyl)phenyl]methanesulfinic acid
CID 174903712
6-(4-methoxyphenyl)pyridin-3-ol
CID 53229210
ethyl 4-(5-hydroxy-2-pyridinyl)benzoate
CID 53229560
ethane;6-(4-nitrophenyl)pyridin-3-ol
CID 144843001
[4-(2-bromophenyl)phenyl]methanesulfinic acid
CID 174368016
4-(5-nonyl-2-pyridinyl)phenol
CID 135627063
6-(3-chloro-4-fluorophenyl)pyridin-3-ol
CID 53229421
2,5-bis(4-ethylphenyl)pyridine
CID 101383412

Frequently Asked Questions

What is the IUPAC name of [4-(5-hydroxy-2-pyridinyl)phenyl]methanesulfinic acid?
The IUPAC name of [4-(5-hydroxy-2-pyridinyl)phenyl]methanesulfinic acid (CID 174604479) is [4-(5-hydroxy-2-pyridinyl)phenyl]methanesulfinic acid.
What is the SMILES notation for [4-(5-hydroxy-2-pyridinyl)phenyl]methanesulfinic acid?
The canonical SMILES for [4-(5-hydroxy-2-pyridinyl)phenyl]methanesulfinic acid is O=S(O)Cc1ccc(-c2ccc(O)cn2)cc1.
What is the InChIKey of [4-(5-hydroxy-2-pyridinyl)phenyl]methanesulfinic acid?
The InChIKey is ZILBSRVJAMGACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c14-11-5-6-12(13-7-11)10-3-1-9(2-4-10)8-17(15)16/h1-7,14H,8H2,(H,15,16).
What are the key properties of [4-(5-hydroxy-2-pyridinyl)phenyl]methanesulfinic acid?
[4-(5-hydroxy-2-pyridinyl)phenyl]methanesulfinic acid has a molecular weight of 249.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-hydroxy-2-pyridinyl)phenyl]methanesulfinic acid is sourced from PubChem (CID 174604479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).