pyridin-2-yl(sulfinyl)methanol

C6H5NO2S — CID 173142907

IUPACpyridin-2-yl(sulfinyl)methanol
SMILESO=S=C(O)c1ccccn1
InChIInChI=1S/C6H5NO2S/c8-6(10-9)5-3-1-2-4-7-5/h1-4,8H
InChIKeyURNQUVGAYLDCFZ-UHFFFAOYSA-N
MW155.18 g/mol
LogP0.33
Rot. Bonds1

About pyridin-2-yl(sulfinyl)methanol

pyridin-2-yl(sulfinyl)methanol (PubChem CID 173142907) has the molecular formula C6H5NO2S and a molecular weight of 155.18 g/mol. Its IUPAC name is pyridin-2-yl(sulfinyl)methanol.

Molecular Properties

Compound Namepyridin-2-yl(sulfinyl)methanol
PubChem CID173142907
Molecular FormulaC6H5NO2S
Molecular Weight155.18 g/mol
Exact Mass155.00
IUPAC Namepyridin-2-yl(sulfinyl)methanol
SMILESO=S=C(O)c1ccccn1
InChIInChI=1S/C6H5NO2S/c8-6(10-9)5-3-1-2-4-7-5/h1-4,8H
InChIKeyURNQUVGAYLDCFZ-UHFFFAOYSA-N
XLogP0.33
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

gadolinium;pyridine-2-carboxylic acid
CID 175231422
CID 175246691
CID 175246691
hafnium;pyridine-2-carboxylic acid
CID 175130925
CID 173156131
CID 173156131
pyridine-2-carboxylic acid;tungsten
CID 88770661
europium;pyridine-2-carboxylic acid
CID 174808227
sodium;pyridine-2-carboxylic acid;hydroxide
CID 162223571
oxovanadium;bis(pyridine-2-carboxylic acid)
CID 73357763
phosphanyl(pyridin-2-yl)methanone
CID 89397457
pyridine-2-carbothioic S-acid
CID 158789814
2,3-dihydroxy-1,3-dipyridin-2-ylprop-2-en-1-one
CID 139679668
S-pyridin-2-yl pyridine-2-carbothioate
CID 121216656

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl(sulfinyl)methanol?
The IUPAC name of pyridin-2-yl(sulfinyl)methanol (CID 173142907) is pyridin-2-yl(sulfinyl)methanol.
What is the SMILES notation for pyridin-2-yl(sulfinyl)methanol?
The canonical SMILES for pyridin-2-yl(sulfinyl)methanol is O=S=C(O)c1ccccn1.
What is the InChIKey of pyridin-2-yl(sulfinyl)methanol?
The InChIKey is URNQUVGAYLDCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2S/c8-6(10-9)5-3-1-2-4-7-5/h1-4,8H.
What are the key properties of pyridin-2-yl(sulfinyl)methanol?
pyridin-2-yl(sulfinyl)methanol has a molecular weight of 155.18 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl(sulfinyl)methanol is sourced from PubChem (CID 173142907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).