6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonyl chloride

C11H9Cl2N3O2S — CID 86710128

IUPAC6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonyl chloride
SMILESCC(C)c1nc2cc(C#N)c(Cl)cn2c1S(=O)(=O)Cl
InChIInChI=1S/C11H9Cl2N3O2S/c1-6(2)10-11(19(13,17)18)16-5-8(12)7(4-14)3-9(16)15-10/h3,5-6H,1-2H3
InChIKeyPMHDEMVQOCXNHK-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.91
Rot. Bonds2

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

6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonyl chloride (PubChem CID 86710128) has the molecular formula C11H9Cl2N3O2S and a molecular weight of 318.19 g/mol. Its IUPAC name is 6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonyl chloride
PubChem CID86710128
Molecular FormulaC11H9Cl2N3O2S
Molecular Weight318.19 g/mol
Exact Mass316.98
IUPAC Name6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonyl chloride
SMILESCC(C)c1nc2cc(C#N)c(Cl)cn2c1S(=O)(=O)Cl
InChIInChI=1S/C11H9Cl2N3O2S/c1-6(2)10-11(19(13,17)18)16-5-8(12)7(4-14)3-9(16)15-10/h3,5-6H,1-2H3
InChIKeyPMHDEMVQOCXNHK-UHFFFAOYSA-N
XLogP2.91
TPSA75.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-sulfonyl chloride?
The IUPAC name of 6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonyl chloride (CID 86710128) is 6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonyl chloride?
The canonical SMILES for 6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonyl chloride is CC(C)c1nc2cc(C#N)c(Cl)cn2c1S(=O)(=O)Cl.
What is the InChIKey of 6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonyl chloride?
The InChIKey is PMHDEMVQOCXNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2S/c1-6(2)10-11(19(13,17)18)16-5-8(12)7(4-14)3-9(16)15-10/h3,5-6H,1-2H3.
What are the key properties of 6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonyl chloride?
6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonyl chloride has a molecular weight of 318.19 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 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-sulfonyl chloride is sourced from PubChem (CID 86710128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).