5-chloro-3-(2-hydroxy-2-methylpropyl)imidazo[4,5-b]pyridin-6-ol

C10H12ClN3O2 — CID 178129898

IUPAC5-chloro-3-(2-hydroxy-2-methylpropyl)imidazo[4,5-b]pyridin-6-ol
SMILESCC(C)(O)Cn1cnc2cc(O)c(Cl)nc21
InChIInChI=1S/C10H12ClN3O2/c1-10(2,16)4-14-5-12-6-3-7(15)8(11)13-9(6)14/h3,5,15-16H,4H2,1-2H3
InChIKeyCLPGAXVPDGCAHT-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.56
Rot. Bonds2

About 5-chloro-3-(2-hydroxy-2-methylpropyl)imidazo[4,5-b]pyridin-6-ol

5-chloro-3-(2-hydroxy-2-methylpropyl)imidazo[4,5-b]pyridin-6-ol (PubChem CID 178129898) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 5-chloro-3-(2-hydroxy-2-methylpropyl)imidazo[4,5-b]pyridin-6-ol.

Molecular Properties

Compound Name5-chloro-3-(2-hydroxy-2-methylpropyl)imidazo[4,5-b]pyridin-6-ol
PubChem CID178129898
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name5-chloro-3-(2-hydroxy-2-methylpropyl)imidazo[4,5-b]pyridin-6-ol
SMILESCC(C)(O)Cn1cnc2cc(O)c(Cl)nc21
InChIInChI=1S/C10H12ClN3O2/c1-10(2,16)4-14-5-12-6-3-7(15)8(11)13-9(6)14/h3,5,15-16H,4H2,1-2H3
InChIKeyCLPGAXVPDGCAHT-UHFFFAOYSA-N
XLogP1.56
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-hydroxy-2-methylpropyl)imidazo[4,5-b]pyridin-6-ol?
The IUPAC name of 5-chloro-3-(2-hydroxy-2-methylpropyl)imidazo[4,5-b]pyridin-6-ol (CID 178129898) is 5-chloro-3-(2-hydroxy-2-methylpropyl)imidazo[4,5-b]pyridin-6-ol.
What is the SMILES notation for 5-chloro-3-(2-hydroxy-2-methylpropyl)imidazo[4,5-b]pyridin-6-ol?
The canonical SMILES for 5-chloro-3-(2-hydroxy-2-methylpropyl)imidazo[4,5-b]pyridin-6-ol is CC(C)(O)Cn1cnc2cc(O)c(Cl)nc21.
What is the InChIKey of 5-chloro-3-(2-hydroxy-2-methylpropyl)imidazo[4,5-b]pyridin-6-ol?
The InChIKey is CLPGAXVPDGCAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-10(2,16)4-14-5-12-6-3-7(15)8(11)13-9(6)14/h3,5,15-16H,4H2,1-2H3.
What are the key properties of 5-chloro-3-(2-hydroxy-2-methylpropyl)imidazo[4,5-b]pyridin-6-ol?
5-chloro-3-(2-hydroxy-2-methylpropyl)imidazo[4,5-b]pyridin-6-ol has a molecular weight of 241.68 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-hydroxy-2-methylpropyl)imidazo[4,5-b]pyridin-6-ol is sourced from PubChem (CID 178129898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).