6-bromo-2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid

C15H11BrF3N3O2 — CID 69213066

IUPAC6-bromo-2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
SMILESCc1ccccc1-c1nc2ncc(Br)cc2[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H10BrN3.C2HF3O2/c1-8-4-2-3-5-10(8)12-16-11-6-9(14)7-15-13(11)17-12;3-2(4,5)1(6)7/h2-7H,1H3,(H,15,16,17);(H,6,7)
InChIKeyFZZKWKPJDZFOKA-UHFFFAOYSA-N
MW402.17 g/mol
LogP4.33
Rot. Bonds1

About 6-bromo-2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid

6-bromo-2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 69213066) has the molecular formula C15H11BrF3N3O2 and a molecular weight of 402.17 g/mol. Its IUPAC name is 6-bromo-2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-bromo-2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
PubChem CID69213066
Molecular FormulaC15H11BrF3N3O2
Molecular Weight402.17 g/mol
Exact Mass401.00
IUPAC Name6-bromo-2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
SMILESCc1ccccc1-c1nc2ncc(Br)cc2[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H10BrN3.C2HF3O2/c1-8-4-2-3-5-10(8)12-16-11-6-9(14)7-15-13(11)17-12;3-2(4,5)1(6)7/h2-7H,1H3,(H,15,16,17);(H,6,7)
InChIKeyFZZKWKPJDZFOKA-UHFFFAOYSA-N
XLogP4.33
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.17
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-bromo-2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid (CID 69213066) is 6-bromo-2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-bromo-2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-bromo-2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid is Cc1ccccc1-c1nc2ncc(Br)cc2[nH]1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-bromo-2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is FZZKWKPJDZFOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3.C2HF3O2/c1-8-4-2-3-5-10(8)12-16-11-6-9(14)7-15-13(11)17-12;3-2(4,5)1(6)7/h2-7H,1H3,(H,15,16,17);(H,6,7).
What are the key properties of 6-bromo-2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid?
6-bromo-2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 402.17 g/mol, XLogP of 4.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69213066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).