methyl 6-chloro-5-sulfamoylpyridine-3-carboxylate

C7H7ClN2O4S — CID 75481485

IUPACmethyl 6-chloro-5-sulfamoylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C7H7ClN2O4S/c1-14-7(11)4-2-5(15(9,12)13)6(8)10-3-4/h2-3H,1H3,(H2,9,12,13)
InChIKeyKKYBZFKLUIEGNL-UHFFFAOYSA-N
MW250.66 g/mol
LogP0.17
Rot. Bonds2

About methyl 6-chloro-5-sulfamoylpyridine-3-carboxylate

methyl 6-chloro-5-sulfamoylpyridine-3-carboxylate (PubChem CID 75481485) has the molecular formula C7H7ClN2O4S and a molecular weight of 250.66 g/mol. Its IUPAC name is methyl 6-chloro-5-sulfamoylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-5-sulfamoylpyridine-3-carboxylate
PubChem CID75481485
Molecular FormulaC7H7ClN2O4S
Molecular Weight250.66 g/mol
Exact Mass249.98
IUPAC Namemethyl 6-chloro-5-sulfamoylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C7H7ClN2O4S/c1-14-7(11)4-2-5(15(9,12)13)6(8)10-3-4/h2-3H,1H3,(H2,9,12,13)
InChIKeyKKYBZFKLUIEGNL-UHFFFAOYSA-N
XLogP0.17
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Methyl 6-chloropyridine-3-carboxylate
CID 254249
Methyl 2-(6-chloropyridine-3-sulfonamido)benzoate
CID 2520612
Methyl 2-chloronicotinate
CID 819931
Methyl 5,6-Dichloronicotinate
CID 2782166
[3-(Dimethylsulfamoyl)phenyl]methyl 2-chloropyridine-3-carboxylate
CID 2128134
5-sulfopyridine-3-carboxylic Acid
CID 2762896
Ethyl 5-chloronicotinate
CID 210009
Methyl 2-Chloro-5-iodonicotinate
CID 2764559
Methyl 6-chloro-5-fluoronicotinate
CID 12677297
Methyl 6-chloro-5-iodonicotinate
CID 22271422
Methyl 6-chloro-5-(trifluoromethyl)pyridine-3-carboxylate
CID 71742463
Methyl 2,5-Dichloronicotinate
CID 2764318

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-5-sulfamoylpyridine-3-carboxylate?
The IUPAC name of methyl 6-chloro-5-sulfamoylpyridine-3-carboxylate (CID 75481485) is methyl 6-chloro-5-sulfamoylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-5-sulfamoylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-chloro-5-sulfamoylpyridine-3-carboxylate is COC(=O)c1cnc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of methyl 6-chloro-5-sulfamoylpyridine-3-carboxylate?
The InChIKey is KKYBZFKLUIEGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O4S/c1-14-7(11)4-2-5(15(9,12)13)6(8)10-3-4/h2-3H,1H3,(H2,9,12,13).
What are the key properties of methyl 6-chloro-5-sulfamoylpyridine-3-carboxylate?
methyl 6-chloro-5-sulfamoylpyridine-3-carboxylate has a molecular weight of 250.66 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-5-sulfamoylpyridine-3-carboxylate is sourced from PubChem (CID 75481485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).