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

C9H6Cl2F3N3O — CID 103208916

IUPAC5,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)COCc1nc2nc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C9H6Cl2F3N3O/c10-4-1-5-8(17-7(4)11)16-6(15-5)2-18-3-9(12,13)14/h1H,2-3H2,(H,15,16,17)
InChIKeyLZBQJCBSAHVGON-UHFFFAOYSA-N
MW300.07 g/mol
LogP3.34
Rot. Bonds3

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

5,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 103208916) has the molecular formula C9H6Cl2F3N3O and a molecular weight of 300.07 g/mol. Its IUPAC name is 5,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID103208916
Molecular FormulaC9H6Cl2F3N3O
Molecular Weight300.07 g/mol
Exact Mass298.98
IUPAC Name5,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)COCc1nc2nc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C9H6Cl2F3N3O/c10-4-1-5-8(17-7(4)11)16-6(15-5)2-18-3-9(12,13)14/h1H,2-3H2,(H,15,16,17)
InChIKeyLZBQJCBSAHVGON-UHFFFAOYSA-N
XLogP3.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.07
LogP ≤ 53.34
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

6-bromo-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine
CID 103208843
6-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine
CID 103208878
5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine
CID 103977363
5,6-dichloro-2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridine
CID 103977323
4,6-difluoro-2-(2,2,2-trifluoroethoxymethyl)-1H-benzimidazole
CID 103208892
5,6-dichloro-2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine
CID 103977488
5,6-dichloro-2-[(3,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine
CID 103977616
5,6-dichloro-2-(phenylsulfanylmethyl)-1H-imidazo[4,5-b]pyridine
CID 103977563
5,6-dichloro-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine
CID 113360932
5,6-dichloro-2-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazo[4,5-b]pyridine
CID 103977441
5-(2,2,2-trifluoroethoxymethyl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 103208776
2-(2,2,2-trifluoroethoxymethyl)-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-4-thione
CID 106478729

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine (CID 103208916) is 5,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine is FC(F)(F)COCc1nc2nc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 5,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is LZBQJCBSAHVGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F3N3O/c10-4-1-5-8(17-7(4)11)16-6(15-5)2-18-3-9(12,13)14/h1H,2-3H2,(H,15,16,17).
What are the key properties of 5,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine?
5,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 300.07 g/mol, XLogP of 3.34, 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-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 103208916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).