1-(5-chloroimidazo[4,5-b]pyridin-3-yl)propan-2-ol

C9H10ClN3O — CID 22504210

IUPAC1-(5-chloroimidazo[4,5-b]pyridin-3-yl)propan-2-ol
SMILESCC(O)Cn1cnc2ccc(Cl)nc21
InChIInChI=1S/C9H10ClN3O/c1-6(14)4-13-5-11-7-2-3-8(10)12-9(7)13/h2-3,5-6,14H,4H2,1H3
InChIKeyCKEASLIJRNXCGZ-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.47
Rot. Bonds2

About 1-(5-chloroimidazo[4,5-b]pyridin-3-yl)propan-2-ol

1-(5-chloroimidazo[4,5-b]pyridin-3-yl)propan-2-ol (PubChem CID 22504210) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 1-(5-chloroimidazo[4,5-b]pyridin-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-chloroimidazo[4,5-b]pyridin-3-yl)propan-2-ol
PubChem CID22504210
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name1-(5-chloroimidazo[4,5-b]pyridin-3-yl)propan-2-ol
SMILESCC(O)Cn1cnc2ccc(Cl)nc21
InChIInChI=1S/C9H10ClN3O/c1-6(14)4-13-5-11-7-2-3-8(10)12-9(7)13/h2-3,5-6,14H,4H2,1H3
InChIKeyCKEASLIJRNXCGZ-UHFFFAOYSA-N
XLogP1.47
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-(5-chloroimidazo[4,5-b]pyridin-3-yl)propan-2-ol?
The IUPAC name of 1-(5-chloroimidazo[4,5-b]pyridin-3-yl)propan-2-ol (CID 22504210) is 1-(5-chloroimidazo[4,5-b]pyridin-3-yl)propan-2-ol.
What is the SMILES notation for 1-(5-chloroimidazo[4,5-b]pyridin-3-yl)propan-2-ol?
The canonical SMILES for 1-(5-chloroimidazo[4,5-b]pyridin-3-yl)propan-2-ol is CC(O)Cn1cnc2ccc(Cl)nc21.
What is the InChIKey of 1-(5-chloroimidazo[4,5-b]pyridin-3-yl)propan-2-ol?
The InChIKey is CKEASLIJRNXCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-6(14)4-13-5-11-7-2-3-8(10)12-9(7)13/h2-3,5-6,14H,4H2,1H3.
What are the key properties of 1-(5-chloroimidazo[4,5-b]pyridin-3-yl)propan-2-ol?
1-(5-chloroimidazo[4,5-b]pyridin-3-yl)propan-2-ol has a molecular weight of 211.65 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloroimidazo[4,5-b]pyridin-3-yl)propan-2-ol is sourced from PubChem (CID 22504210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).