6-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-2-carboxylic acid

C10H10N4O4S — CID 55249907

IUPAC6-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-2-carboxylic acid
SMILESCn1cnc(S(=O)(=O)Nc2cccc(C(=O)O)n2)c1
InChIInChI=1S/C10H10N4O4S/c1-14-5-9(11-6-14)19(17,18)13-8-4-2-3-7(12-8)10(15)16/h2-6H,1H3,(H,12,13)(H,15,16)
InChIKeyUPTJIJOOWNBDGP-UHFFFAOYSA-N
MW282.28 g/mol
LogP0.31
Rot. Bonds4

About 6-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-2-carboxylic acid

6-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-2-carboxylic acid (PubChem CID 55249907) has the molecular formula C10H10N4O4S and a molecular weight of 282.28 g/mol. Its IUPAC name is 6-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-2-carboxylic acid
PubChem CID55249907
Molecular FormulaC10H10N4O4S
Molecular Weight282.28 g/mol
Exact Mass282.04
IUPAC Name6-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-2-carboxylic acid
SMILESCn1cnc(S(=O)(=O)Nc2cccc(C(=O)O)n2)c1
InChIInChI=1S/C10H10N4O4S/c1-14-5-9(11-6-14)19(17,18)13-8-4-2-3-7(12-8)10(15)16/h2-6H,1H3,(H,12,13)(H,15,16)
InChIKeyUPTJIJOOWNBDGP-UHFFFAOYSA-N
XLogP0.31
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-2-carboxylic acid (CID 55249907) is 6-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-2-carboxylic acid is Cn1cnc(S(=O)(=O)Nc2cccc(C(=O)O)n2)c1.
What is the InChIKey of 6-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-2-carboxylic acid?
The InChIKey is UPTJIJOOWNBDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4S/c1-14-5-9(11-6-14)19(17,18)13-8-4-2-3-7(12-8)10(15)16/h2-6H,1H3,(H,12,13)(H,15,16).
What are the key properties of 6-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-2-carboxylic acid?
6-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-2-carboxylic acid has a molecular weight of 282.28 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 55249907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).