3-[[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole

C11H9Cl2N5O — CID 106407016

IUPAC3-[[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole
SMILESClCCc1nc2cc(Cl)cnc2n1Cc1ncon1
InChIInChI=1S/C11H9Cl2N5O/c12-2-1-10-16-8-3-7(13)4-14-11(8)18(10)5-9-15-6-19-17-9/h3-4,6H,1-2,5H2
InChIKeyOPJMFCJQQBOJFE-UHFFFAOYSA-N
MW298.13 g/mol
LogP2.30
Rot. Bonds4

About 3-[[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole

3-[[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole (PubChem CID 106407016) has the molecular formula C11H9Cl2N5O and a molecular weight of 298.13 g/mol. Its IUPAC name is 3-[[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole
PubChem CID106407016
Molecular FormulaC11H9Cl2N5O
Molecular Weight298.13 g/mol
Exact Mass297.02
IUPAC Name3-[[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole
SMILESClCCc1nc2cc(Cl)cnc2n1Cc1ncon1
InChIInChI=1S/C11H9Cl2N5O/c12-2-1-10-16-8-3-7(13)4-14-11(8)18(10)5-9-15-6-19-17-9/h3-4,6H,1-2,5H2
InChIKeyOPJMFCJQQBOJFE-UHFFFAOYSA-N
XLogP2.30
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

6-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 106406104
6-chloro-3-[2-(1,2,4-oxadiazol-3-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 106406257
3-[[2-(2-chloroethyl)-5-fluoro-6-methylbenzimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 106407005
3-[[2-(2-chloroethyl)-6-methoxybenzimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 106407036
3-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole
CID 106406965
3-[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,2,2-trimethylpropanamide
CID 106278900
6-chloro-3-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 114184770
5-[[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole
CID 106420533
5-[[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3-methyl-1,2-oxazole
CID 79302970
3-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-1,2,4-oxadiazole
CID 106407034
4-[(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)methyl]aniline
CID 94758162
3-[[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-1,2,4-oxadiazole
CID 106407046

Frequently Asked Questions

What is the IUPAC name of 3-[[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole (CID 106407016) is 3-[[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole is ClCCc1nc2cc(Cl)cnc2n1Cc1ncon1.
What is the InChIKey of 3-[[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is OPJMFCJQQBOJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N5O/c12-2-1-10-16-8-3-7(13)4-14-11(8)18(10)5-9-15-6-19-17-9/h3-4,6H,1-2,5H2.
What are the key properties of 3-[[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole?
3-[[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 298.13 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 106407016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).