6-bromo-3-(ethoxymethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine

C10H9BrF3N3O — CID 15767494

IUPAC6-bromo-3-(ethoxymethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCOCn1c(C(F)(F)F)nc2cc(Br)cnc21
InChIInChI=1S/C10H9BrF3N3O/c1-2-18-5-17-8-7(3-6(11)4-15-8)16-9(17)10(12,13)14/h3-4H,2,5H2,1H3
InChIKeyPBABYMLTURAFKW-UHFFFAOYSA-N
MW324.10 g/mol
LogP3.21
Rot. Bonds3

About 6-bromo-3-(ethoxymethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine

6-bromo-3-(ethoxymethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 15767494) has the molecular formula C10H9BrF3N3O and a molecular weight of 324.10 g/mol. Its IUPAC name is 6-bromo-3-(ethoxymethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-3-(ethoxymethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID15767494
Molecular FormulaC10H9BrF3N3O
Molecular Weight324.10 g/mol
Exact Mass322.99
IUPAC Name6-bromo-3-(ethoxymethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCOCn1c(C(F)(F)F)nc2cc(Br)cnc21
InChIInChI=1S/C10H9BrF3N3O/c1-2-18-5-17-8-7(3-6(11)4-15-8)16-9(17)10(12,13)14/h3-4H,2,5H2,1H3
InChIKeyPBABYMLTURAFKW-UHFFFAOYSA-N
XLogP3.21
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.10
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(ethoxymethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-3-(ethoxymethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 15767494) is 6-bromo-3-(ethoxymethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-3-(ethoxymethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-3-(ethoxymethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine is CCOCn1c(C(F)(F)F)nc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-3-(ethoxymethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is PBABYMLTURAFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3N3O/c1-2-18-5-17-8-7(3-6(11)4-15-8)16-9(17)10(12,13)14/h3-4H,2,5H2,1H3.
What are the key properties of 6-bromo-3-(ethoxymethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
6-bromo-3-(ethoxymethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 324.10 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(ethoxymethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 15767494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).