2-(2-chloroethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine

C13H16ClN3O — CID 79294540

IUPAC2-(2-chloroethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine
SMILESClCCc1nc2cccnc2n1C1CCCOC1
InChIInChI=1S/C13H16ClN3O/c14-6-5-12-16-11-4-1-7-15-13(11)17(12)10-3-2-8-18-9-10/h1,4,7,10H,2-3,5-6,8-9H2
InChIKeyMESQUSMJPPSTRA-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.56
Rot. Bonds3

About 2-(2-chloroethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine

2-(2-chloroethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine (PubChem CID 79294540) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine
PubChem CID79294540
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name2-(2-chloroethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine
SMILESClCCc1nc2cccnc2n1C1CCCOC1
InChIInChI=1S/C13H16ClN3O/c14-6-5-12-16-11-4-1-7-15-13(11)17(12)10-3-2-8-18-9-10/h1,4,7,10H,2-3,5-6,8-9H2
InChIKeyMESQUSMJPPSTRA-UHFFFAOYSA-N
XLogP2.56
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117159846
2-(2-chloroethyl)-5-methyl-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 81135416
2-tert-butyl-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117166366
3-cyclobutyl-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161425
2-[(2-chlorophenyl)methyl]-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117165183
2-(2-chloroethyl)-3-(3-methylsulfanylcyclopentyl)imidazo[4,5-b]pyridine
CID 114123296
2-(3-chlorophenyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117166658
3-(oxolan-3-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163882
2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine
CID 82483690
3-(oxolan-3-yl)-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161501
2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine
CID 79870709
2-[(2-fluorophenyl)methyl]-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117165182

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine (CID 79294540) is 2-(2-chloroethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine is ClCCc1nc2cccnc2n1C1CCCOC1.
What is the InChIKey of 2-(2-chloroethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is MESQUSMJPPSTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c14-6-5-12-16-11-4-1-7-15-13(11)17(12)10-3-2-8-18-9-10/h1,4,7,10H,2-3,5-6,8-9H2.
What are the key properties of 2-(2-chloroethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 265.74 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79294540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).