[3-(benzenesulfinyl)-2-pyridinyl]methanol

C12H11NO2S — CID 67272140

IUPAC[3-(benzenesulfinyl)-2-pyridinyl]methanol
SMILESO=S(c1ccccc1)c1cccnc1CO
InChIInChI=1S/C12H11NO2S/c14-9-11-12(7-4-8-13-11)16(15)10-5-2-1-3-6-10/h1-8,14H,9H2
InChIKeyOTXGRBPZNVAAGT-UHFFFAOYSA-N
MW233.29 g/mol
LogP1.74
Rot. Bonds3

About [3-(benzenesulfinyl)-2-pyridinyl]methanol

[3-(benzenesulfinyl)-2-pyridinyl]methanol (PubChem CID 67272140) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is [3-(benzenesulfinyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(benzenesulfinyl)-2-pyridinyl]methanol
PubChem CID67272140
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name[3-(benzenesulfinyl)-2-pyridinyl]methanol
SMILESO=S(c1ccccc1)c1cccnc1CO
InChIInChI=1S/C12H11NO2S/c14-9-11-12(7-4-8-13-11)16(15)10-5-2-1-3-6-10/h1-8,14H,9H2
InChIKeyOTXGRBPZNVAAGT-UHFFFAOYSA-N
XLogP1.74
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-phenylethyl)-2-pyridinyl]methanol
CID 22914797
[2-(hydroxymethyl)-3-pyridinyl]carbamic acid
CID 69010841
1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene
CID 102303456
[3-(2-chlorophenyl)-2-pyridinyl]methanol
CID 154672762
[3-(hydroxymethyl)-2-pyridinyl]methylcarbamic acid
CID 155209331
2-(benzenesulfinyl)benzaldehyde
CID 86079855
[3-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol
CID 134636826
benzenesulfinylbenzene;trichloro(methyl)silane
CID 68863151
[2-(hydroxymethyl)-3-pyridinyl]-imidazol-1-ylmethanone
CID 147710275
[3-[(1S)-1-aminoethyl]-2-pyridinyl]methanol
CID 130671700
3-phenyl-2-[(3-phenyl-2-pyridinyl)methyl]pyridine;platinum(2+)
CID 175810966
8-[(R)-benzylsulfinyl]quinoline
CID 95559201

Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfinyl)-2-pyridinyl]methanol?
The IUPAC name of [3-(benzenesulfinyl)-2-pyridinyl]methanol (CID 67272140) is [3-(benzenesulfinyl)-2-pyridinyl]methanol.
What is the SMILES notation for [3-(benzenesulfinyl)-2-pyridinyl]methanol?
The canonical SMILES for [3-(benzenesulfinyl)-2-pyridinyl]methanol is O=S(c1ccccc1)c1cccnc1CO.
What is the InChIKey of [3-(benzenesulfinyl)-2-pyridinyl]methanol?
The InChIKey is OTXGRBPZNVAAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c14-9-11-12(7-4-8-13-11)16(15)10-5-2-1-3-6-10/h1-8,14H,9H2.
What are the key properties of [3-(benzenesulfinyl)-2-pyridinyl]methanol?
[3-(benzenesulfinyl)-2-pyridinyl]methanol has a molecular weight of 233.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfinyl)-2-pyridinyl]methanol is sourced from PubChem (CID 67272140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).