6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid

C10H14N2O7S — CID 107848275

IUPAC6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NC(CO)(CO)CO)nc1
InChIInChI=1S/C10H14N2O7S/c13-4-10(5-14,6-15)12-20(18,19)8-2-1-7(3-11-8)9(16)17/h1-3,12-15H,4-6H2,(H,16,17)
InChIKeyVAVYIJNJIIHNDQ-UHFFFAOYSA-N
MW306.30 g/mol
LogP-2.23
Rot. Bonds7

About 6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid

6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 107848275) has the molecular formula C10H14N2O7S and a molecular weight of 306.30 g/mol. Its IUPAC name is 6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid
PubChem CID107848275
Molecular FormulaC10H14N2O7S
Molecular Weight306.30 g/mol
Exact Mass306.05
IUPAC Name6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NC(CO)(CO)CO)nc1
InChIInChI=1S/C10H14N2O7S/c13-4-10(5-14,6-15)12-20(18,19)8-2-1-7(3-11-8)9(16)17/h1-3,12-15H,4-6H2,(H,16,17)
InChIKeyVAVYIJNJIIHNDQ-UHFFFAOYSA-N
XLogP-2.23
TPSA157.05 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 5-2.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(1-methoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid
CID 63874134
6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 98574061
6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106142679
6-methylsulfonylpyridine-3-carboxylic acid
CID 53429616
6-chlorosulfonylpyridine-3-carboxylic acid
CID 58017306
6-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 66090839
6-[(2-hydroxyphenyl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 114331356
6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106275719
6-[2-(methylsulfamoyl)ethylsulfamoyl]pyridine-3-carboxylic acid
CID 106334984
6-[(5-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106156055
6-[(3-hydroxycyclobutyl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 66005787
6-(pyridin-2-ylsulfamoyl)pyridine-3-carboxylic acid
CID 63872213

Frequently Asked Questions

What is the IUPAC name of 6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid (CID 107848275) is 6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)NC(CO)(CO)CO)nc1.
What is the InChIKey of 6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is VAVYIJNJIIHNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O7S/c13-4-10(5-14,6-15)12-20(18,19)8-2-1-7(3-11-8)9(16)17/h1-3,12-15H,4-6H2,(H,16,17).
What are the key properties of 6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid?
6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 306.30 g/mol, XLogP of -2.23, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 107848275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).