3,4-dihydroxy-1H-pyridin-2-one;sulfane

C5H7NO3S — CID 172793622

IUPAC3,4-dihydroxy-1H-pyridin-2-one;sulfane
SMILESO=c1[nH]ccc(O)c1O.S
InChIInChI=1S/C5H5NO3.H2S/c7-3-1-2-6-5(9)4(3)8;/h1-2,8H,(H2,6,7,9);1H2
InChIKeyPXEQHCOUWJTMOW-UHFFFAOYSA-N
MW161.18 g/mol
LogP-0.10
Rot. Bonds

About 3,4-dihydroxy-1H-pyridin-2-one;sulfane

3,4-dihydroxy-1H-pyridin-2-one;sulfane (PubChem CID 172793622) has the molecular formula C5H7NO3S and a molecular weight of 161.18 g/mol. Its IUPAC name is 3,4-dihydroxy-1H-pyridin-2-one;sulfane.

Molecular Properties

Compound Name3,4-dihydroxy-1H-pyridin-2-one;sulfane
PubChem CID172793622
Molecular FormulaC5H7NO3S
Molecular Weight161.18 g/mol
Exact Mass161.01
IUPAC Name3,4-dihydroxy-1H-pyridin-2-one;sulfane
SMILESO=c1[nH]ccc(O)c1O.S
InChIInChI=1S/C5H5NO3.H2S/c7-3-1-2-6-5(9)4(3)8;/h1-2,8H,(H2,6,7,9);1H2
InChIKeyPXEQHCOUWJTMOW-UHFFFAOYSA-N
XLogP-0.10
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dihydroxypyridine
CID 28115
4-Hydroxy-2(1H)-pyridinone
CID 54696004
Ctk2B7197
CID 12307860
3,4-Dihydroxypyridin-2(1H)-one
CID 54707960
4-Hydroxy-3-iodopyridin-2(1H)-one
CID 54719033
Tetraoxypyridin
CID 56624849
2,3-Dihydroxypyridine hydrochloride
CID 57468247
4-Fluoro-3-hydroxy-1,2-dihydropyridin-2-one
CID 54037580
3-fluoro-4-hydroxy-1H-pyridin-2-one
CID 68536861
(2-oxo-1H-pyridin-3-yl) hypofluorite
CID 177034664
3-Sulfanyl-4-hydroxypyridone
CID 90848289
4-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 118999599

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-1H-pyridin-2-one;sulfane?
The IUPAC name of 3,4-dihydroxy-1H-pyridin-2-one;sulfane (CID 172793622) is 3,4-dihydroxy-1H-pyridin-2-one;sulfane.
What is the SMILES notation for 3,4-dihydroxy-1H-pyridin-2-one;sulfane?
The canonical SMILES for 3,4-dihydroxy-1H-pyridin-2-one;sulfane is O=c1[nH]ccc(O)c1O.S.
What is the InChIKey of 3,4-dihydroxy-1H-pyridin-2-one;sulfane?
The InChIKey is PXEQHCOUWJTMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3.H2S/c7-3-1-2-6-5(9)4(3)8;/h1-2,8H,(H2,6,7,9);1H2.
What are the key properties of 3,4-dihydroxy-1H-pyridin-2-one;sulfane?
3,4-dihydroxy-1H-pyridin-2-one;sulfane has a molecular weight of 161.18 g/mol, XLogP of -0.10, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-1H-pyridin-2-one;sulfane is sourced from PubChem (CID 172793622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).