propan-2-yl 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetate

C11H12ClN3O2S — CID 665823

IUPACpropan-2-yl 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetate
SMILESCC(C)OC(=O)CSc1nc2ncc(Cl)cc2[nH]1
InChIInChI=1S/C11H12ClN3O2S/c1-6(2)17-9(16)5-18-11-14-8-3-7(12)4-13-10(8)15-11/h3-4,6H,5H2,1-2H3,(H,13,14,15)
InChIKeyAGZXYOVDARRDBV-UHFFFAOYSA-N
MW285.76 g/mol
LogP2.65
Rot. Bonds4

About propan-2-yl 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetate

propan-2-yl 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetate (PubChem CID 665823) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is propan-2-yl 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetate
PubChem CID665823
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Namepropan-2-yl 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetate
SMILESCC(C)OC(=O)CSc1nc2ncc(Cl)cc2[nH]1
InChIInChI=1S/C11H12ClN3O2S/c1-6(2)17-9(16)5-18-11-14-8-3-7(12)4-13-10(8)15-11/h3-4,6H,5H2,1-2H3,(H,13,14,15)
InChIKeyAGZXYOVDARRDBV-UHFFFAOYSA-N
XLogP2.65
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetate?
The IUPAC name of propan-2-yl 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetate (CID 665823) is propan-2-yl 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetate.
What is the SMILES notation for propan-2-yl 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetate?
The canonical SMILES for propan-2-yl 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetate is CC(C)OC(=O)CSc1nc2ncc(Cl)cc2[nH]1.
What is the InChIKey of propan-2-yl 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetate?
The InChIKey is AGZXYOVDARRDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c1-6(2)17-9(16)5-18-11-14-8-3-7(12)4-13-10(8)15-11/h3-4,6H,5H2,1-2H3,(H,13,14,15).
What are the key properties of propan-2-yl 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetate?
propan-2-yl 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetate has a molecular weight of 285.76 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetate is sourced from PubChem (CID 665823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).