5-(difluoromethoxy)pyridine-2-sulfinic acid

C6H5F2NO3S — CID 146013721

IUPAC5-(difluoromethoxy)pyridine-2-sulfinic acid
SMILESO=S(O)c1ccc(OC(F)F)cn1
InChIInChI=1S/C6H5F2NO3S/c7-6(8)12-4-1-2-5(9-3-4)13(10)11/h1-3,6H,(H,10,11)
InChIKeyNPWOMJHWGLOZSW-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.26
Rot. Bonds3

About 5-(difluoromethoxy)pyridine-2-sulfinic acid

5-(difluoromethoxy)pyridine-2-sulfinic acid (PubChem CID 146013721) has the molecular formula C6H5F2NO3S and a molecular weight of 209.17 g/mol. Its IUPAC name is 5-(difluoromethoxy)pyridine-2-sulfinic acid.

Molecular Properties

Compound Name5-(difluoromethoxy)pyridine-2-sulfinic acid
PubChem CID146013721
Molecular FormulaC6H5F2NO3S
Molecular Weight209.17 g/mol
Exact Mass209.00
IUPAC Name5-(difluoromethoxy)pyridine-2-sulfinic acid
SMILESO=S(O)c1ccc(OC(F)F)cn1
InChIInChI=1S/C6H5F2NO3S/c7-6(8)12-4-1-2-5(9-3-4)13(10)11/h1-3,6H,(H,10,11)
InChIKeyNPWOMJHWGLOZSW-UHFFFAOYSA-N
XLogP1.26
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium 2-[5-(difluoromethoxy)-2-pyridinyl]acetate
CID 131676505
2-(2,6-dichlorophenyl)-5-(difluoromethoxy)pyridine
CID 118825016
5-(difluoromethoxy)-2-pyridin-4-ylpyridine
CID 46316882
5-(difluoromethoxy)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine
CID 84593683
5-(difluoromethoxy)pyrimidin-2-amine
CID 139417201
3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-1-ol
CID 133423941
(2Z)-5-(difluoromethoxy)-N-hydroxypyrimidine-2-carboximidoyl chloride
CID 136959628
5-(difluoromethoxy)-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide
CID 136588722
1-(difluoromethoxy)-4-methylsulfinylbenzene;hydrate
CID 156822834
5-[5-(difluoromethoxy)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 171363837
2-(2,4-dichlorophenyl)-5-(difluoromethoxy)pyridine
CID 170837762
4-(difluoromethoxy)benzenesulfonate
CID 150290603

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)pyridine-2-sulfinic acid?
The IUPAC name of 5-(difluoromethoxy)pyridine-2-sulfinic acid (CID 146013721) is 5-(difluoromethoxy)pyridine-2-sulfinic acid.
What is the SMILES notation for 5-(difluoromethoxy)pyridine-2-sulfinic acid?
The canonical SMILES for 5-(difluoromethoxy)pyridine-2-sulfinic acid is O=S(O)c1ccc(OC(F)F)cn1.
What is the InChIKey of 5-(difluoromethoxy)pyridine-2-sulfinic acid?
The InChIKey is NPWOMJHWGLOZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO3S/c7-6(8)12-4-1-2-5(9-3-4)13(10)11/h1-3,6H,(H,10,11).
What are the key properties of 5-(difluoromethoxy)pyridine-2-sulfinic acid?
5-(difluoromethoxy)pyridine-2-sulfinic acid has a molecular weight of 209.17 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)pyridine-2-sulfinic acid is sourced from PubChem (CID 146013721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).