6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonic acid

C11H10ClN3O3S — CID 86710129

IUPAC6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonic acid
SMILESCC(C)c1nc2cc(C#N)c(Cl)cn2c1S(=O)(=O)O
InChIInChI=1S/C11H10ClN3O3S/c1-6(2)10-11(19(16,17)18)15-5-8(12)7(4-13)3-9(15)14-10/h3,5-6H,1-2H3,(H,16,17,18)
InChIKeyWGKCAICWRPZTDO-UHFFFAOYSA-N
MW299.74 g/mol
LogP2.23
Rot. Bonds2

About 6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonic acid

6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonic acid (PubChem CID 86710129) has the molecular formula C11H10ClN3O3S and a molecular weight of 299.74 g/mol. Its IUPAC name is 6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonic acid.

Molecular Properties

Compound Name6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonic acid
PubChem CID86710129
Molecular FormulaC11H10ClN3O3S
Molecular Weight299.74 g/mol
Exact Mass299.01
IUPAC Name6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonic acid
SMILESCC(C)c1nc2cc(C#N)c(Cl)cn2c1S(=O)(=O)O
InChIInChI=1S/C11H10ClN3O3S/c1-6(2)10-11(19(16,17)18)15-5-8(12)7(4-13)3-9(15)14-10/h3,5-6H,1-2H3,(H,16,17,18)
InChIKeyWGKCAICWRPZTDO-UHFFFAOYSA-N
XLogP2.23
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonic acid?
The IUPAC name of 6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonic acid (CID 86710129) is 6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonic acid.
What is the SMILES notation for 6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonic acid?
The canonical SMILES for 6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonic acid is CC(C)c1nc2cc(C#N)c(Cl)cn2c1S(=O)(=O)O.
What is the InChIKey of 6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonic acid?
The InChIKey is WGKCAICWRPZTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3S/c1-6(2)10-11(19(16,17)18)15-5-8(12)7(4-13)3-9(15)14-10/h3,5-6H,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonic acid?
6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonic acid has a molecular weight of 299.74 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonic acid is sourced from PubChem (CID 86710129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).