(4-pyridin-2-ylphenyl)methanesulfinic acid

C12H11NO2S — CID 174730201

IUPAC(4-pyridin-2-ylphenyl)methanesulfinic acid
SMILESO=S(O)Cc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C12H11NO2S/c14-16(15)9-10-4-6-11(7-5-10)12-3-1-2-8-13-12/h1-8H,9H2,(H,14,15)
InChIKeyDHIFBYFQVKMKFG-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.47
Rot. Bonds3

About (4-pyridin-2-ylphenyl)methanesulfinic acid

(4-pyridin-2-ylphenyl)methanesulfinic acid (PubChem CID 174730201) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is (4-pyridin-2-ylphenyl)methanesulfinic acid.

Molecular Properties

Compound Name(4-pyridin-2-ylphenyl)methanesulfinic acid
PubChem CID174730201
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name(4-pyridin-2-ylphenyl)methanesulfinic acid
SMILESO=S(O)Cc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C12H11NO2S/c14-16(15)9-10-4-6-11(7-5-10)12-3-1-2-8-13-12/h1-8H,9H2,(H,14,15)
InChIKeyDHIFBYFQVKMKFG-UHFFFAOYSA-N
XLogP2.47
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(6-methyl-2-pyridinyl)phenyl]methanesulfinic acid
CID 174903712
2-(4-pyridin-2-ylphenyl)acetamide
CID 57447645
ethane;2-(4-propylphenyl)pyridine
CID 158701503
bis(iridium);tetrakis(4-pyridin-2-ylphenol)
CID 173084104
(4-pyridin-2-ylphenyl)methanamine;2,2,2-trifluoroacetic acid
CID 68670040
2-oxo-N-[(4-pyridin-2-ylphenyl)methyl]propanamide
CID 110478301
trimethyl-[2-(4-pyridin-2-ylphenyl)ethyl]silane
CID 162513339
[4-(2-bromophenyl)phenyl]methanesulfinic acid
CID 174368016
2-[4-(1-deuteriopropyl)phenyl]pyridine
CID 163281838
2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine
CID 175312241
2-phenylpyridine;propan-2-one
CID 174845023
CID 88530161
CID 88530161

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-2-ylphenyl)methanesulfinic acid?
The IUPAC name of (4-pyridin-2-ylphenyl)methanesulfinic acid (CID 174730201) is (4-pyridin-2-ylphenyl)methanesulfinic acid.
What is the SMILES notation for (4-pyridin-2-ylphenyl)methanesulfinic acid?
The canonical SMILES for (4-pyridin-2-ylphenyl)methanesulfinic acid is O=S(O)Cc1ccc(-c2ccccn2)cc1.
What is the InChIKey of (4-pyridin-2-ylphenyl)methanesulfinic acid?
The InChIKey is DHIFBYFQVKMKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c14-16(15)9-10-4-6-11(7-5-10)12-3-1-2-8-13-12/h1-8H,9H2,(H,14,15).
What are the key properties of (4-pyridin-2-ylphenyl)methanesulfinic acid?
(4-pyridin-2-ylphenyl)methanesulfinic acid has a molecular weight of 233.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-2-ylphenyl)methanesulfinic acid is sourced from PubChem (CID 174730201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).