3-(3-chlorophenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine

C16H14ClN3O — CID 117160489

IUPAC3-(3-chlorophenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
SMILESClc1cccc(-n2c(C3CCOC3)nc3cccnc32)c1
InChIInChI=1S/C16H14ClN3O/c17-12-3-1-4-13(9-12)20-15(11-6-8-21-10-11)19-14-5-2-7-18-16(14)20/h1-5,7,9,11H,6,8,10H2
InChIKeyCWEDOKMCHCEKGE-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.58
Rot. Bonds2

About 3-(3-chlorophenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine

3-(3-chlorophenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine (PubChem CID 117160489) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
PubChem CID117160489
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name3-(3-chlorophenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
SMILESClc1cccc(-n2c(C3CCOC3)nc3cccnc32)c1
InChIInChI=1S/C16H14ClN3O/c17-12-3-1-4-13(9-12)20-15(11-6-8-21-10-11)19-14-5-2-7-18-16(14)20/h1-5,7,9,11H,6,8,10H2
InChIKeyCWEDOKMCHCEKGE-UHFFFAOYSA-N
XLogP3.58
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(3-chlorophenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine (CID 117160489) is 3-(3-chlorophenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(3-chlorophenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine is Clc1cccc(-n2c(C3CCOC3)nc3cccnc32)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is CWEDOKMCHCEKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-12-3-1-4-13(9-12)20-15(11-6-8-21-10-11)19-14-5-2-7-18-16(14)20/h1-5,7,9,11H,6,8,10H2.
What are the key properties of 3-(3-chlorophenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine?
3-(3-chlorophenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 299.76 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117160489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).