2-chloro-6-(2-sulfamoylethylamino)pyridine-4-carboxylic acid

C8H10ClN3O4S — CID 43552562

IUPAC2-chloro-6-(2-sulfamoylethylamino)pyridine-4-carboxylic acid
SMILESNS(=O)(=O)CCNc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C8H10ClN3O4S/c9-6-3-5(8(13)14)4-7(12-6)11-1-2-17(10,15)16/h3-4H,1-2H2,(H,11,12)(H,13,14)(H2,10,15,16)
InChIKeyOQOJQGHUBNNDEJ-UHFFFAOYSA-N
MW279.71 g/mol
LogP0.13
Rot. Bonds5

About 2-chloro-6-(2-sulfamoylethylamino)pyridine-4-carboxylic acid

2-chloro-6-(2-sulfamoylethylamino)pyridine-4-carboxylic acid (PubChem CID 43552562) has the molecular formula C8H10ClN3O4S and a molecular weight of 279.71 g/mol. Its IUPAC name is 2-chloro-6-(2-sulfamoylethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(2-sulfamoylethylamino)pyridine-4-carboxylic acid
PubChem CID43552562
Molecular FormulaC8H10ClN3O4S
Molecular Weight279.71 g/mol
Exact Mass279.01
IUPAC Name2-chloro-6-(2-sulfamoylethylamino)pyridine-4-carboxylic acid
SMILESNS(=O)(=O)CCNc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C8H10ClN3O4S/c9-6-3-5(8(13)14)4-7(12-6)11-1-2-17(10,15)16/h3-4H,1-2H2,(H,11,12)(H,13,14)(H2,10,15,16)
InChIKeyOQOJQGHUBNNDEJ-UHFFFAOYSA-N
XLogP0.13
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.71
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid
CID 43553797
2-chloro-6-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
CID 43546272
2-[(4-amino-4-oxobutyl)amino]-6-chloropyridine-4-carboxylic acid
CID 60864506
2-chloro-6-(pent-4-ynylamino)pyridine-4-carboxylic acid
CID 106222382
2-chloro-6-[3-(dimethylamino)propylamino]pyridine-4-carboxylic acid
CID 43166600
2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80936600
2-chloro-6-(hex-5-ynylamino)pyridine-4-carboxylic acid
CID 106213782
2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114617465
2-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid
CID 114186360
3-bromo-5-(2-sulfamoylethylamino)benzoic acid
CID 102822453
2-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylic acid
CID 106105316
2-chloro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-4-carboxylic acid
CID 63538354

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-sulfamoylethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(2-sulfamoylethylamino)pyridine-4-carboxylic acid (CID 43552562) is 2-chloro-6-(2-sulfamoylethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(2-sulfamoylethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(2-sulfamoylethylamino)pyridine-4-carboxylic acid is NS(=O)(=O)CCNc1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(2-sulfamoylethylamino)pyridine-4-carboxylic acid?
The InChIKey is OQOJQGHUBNNDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O4S/c9-6-3-5(8(13)14)4-7(12-6)11-1-2-17(10,15)16/h3-4H,1-2H2,(H,11,12)(H,13,14)(H2,10,15,16).
What are the key properties of 2-chloro-6-(2-sulfamoylethylamino)pyridine-4-carboxylic acid?
2-chloro-6-(2-sulfamoylethylamino)pyridine-4-carboxylic acid has a molecular weight of 279.71 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-sulfamoylethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 43552562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).