5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine

C13H9Cl2N3O — CID 103977363

IUPAC5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine
SMILESClc1cc2[nH]c(COc3ccccc3)nc2nc1Cl
InChIInChI=1S/C13H9Cl2N3O/c14-9-6-10-13(18-12(9)15)17-11(16-10)7-19-8-4-2-1-3-5-8/h1-6H,7H2,(H,16,17,18)
InChIKeyUXRBNWOQDPHMNE-UHFFFAOYSA-N
MW294.14 g/mol
LogP3.84
Rot. Bonds3

About 5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine

5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 103977363) has the molecular formula C13H9Cl2N3O and a molecular weight of 294.14 g/mol. Its IUPAC name is 5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID103977363
Molecular FormulaC13H9Cl2N3O
Molecular Weight294.14 g/mol
Exact Mass293.01
IUPAC Name5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine
SMILESClc1cc2[nH]c(COc3ccccc3)nc2nc1Cl
InChIInChI=1S/C13H9Cl2N3O/c14-9-6-10-13(18-12(9)15)17-11(16-10)7-19-8-4-2-1-3-5-8/h1-6H,7H2,(H,16,17,18)
InChIKeyUXRBNWOQDPHMNE-UHFFFAOYSA-N
XLogP3.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-2-(phenylsulfanylmethyl)-1H-imidazo[4,5-b]pyridine
CID 103977563
5-methyl-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine
CID 81137537
5,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine
CID 103208916
5,6-difluoro-2-(phenoxymethyl)-1H-benzimidazole
CID 55025178
5,6-dichloro-2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridine
CID 103977323
5,6-dichloro-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine
CID 113360932
5,6-dichloro-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine
CID 103977352
4,6-dimethyl-2-(phenoxymethyl)-1H-benzimidazole
CID 82947655
5,6-dichloro-2-[(3-chlorophenoxy)methyl]-1H-benzimidazole
CID 82004585
5,6-dichloro-2-[(3,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine
CID 103977616
6-(phenoxymethyl)-5H-[1,3]dioxolo[4,5-f]benzimidazole
CID 39158501
5,6-dichloro-2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine
CID 103977488

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine (CID 103977363) is 5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine is Clc1cc2[nH]c(COc3ccccc3)nc2nc1Cl.
What is the InChIKey of 5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is UXRBNWOQDPHMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O/c14-9-6-10-13(18-12(9)15)17-11(16-10)7-19-8-4-2-1-3-5-8/h1-6H,7H2,(H,16,17,18).
What are the key properties of 5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine?
5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 294.14 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 103977363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).