6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridine

C17H9BrF3N5 — CID 56948408

IUPAC6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cccnc1-c1ccc(-c2nc3ncc(Br)cc3[nH]2)nc1
InChIInChI=1S/C17H9BrF3N5/c18-10-6-13-15(24-8-10)26-16(25-13)12-4-3-9(7-23-12)14-11(17(19,20)21)2-1-5-22-14/h1-8H,(H,24,25,26)
InChIKeyLTWKEKDUZAZHOF-UHFFFAOYSA-N
MW420.19 g/mol
LogP4.86
Rot. Bonds2

About 6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridine

6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 56948408) has the molecular formula C17H9BrF3N5 and a molecular weight of 420.19 g/mol. Its IUPAC name is 6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridine
PubChem CID56948408
Molecular FormulaC17H9BrF3N5
Molecular Weight420.19 g/mol
Exact Mass419.00
IUPAC Name6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cccnc1-c1ccc(-c2nc3ncc(Br)cc3[nH]2)nc1
InChIInChI=1S/C17H9BrF3N5/c18-10-6-13-15(24-8-10)26-16(25-13)12-4-3-9(7-23-12)14-11(17(19,20)21)2-1-5-22-14/h1-8H,(H,24,25,26)
InChIKeyLTWKEKDUZAZHOF-UHFFFAOYSA-N
XLogP4.86
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.19
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridine (CID 56948408) is 6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridine is FC(F)(F)c1cccnc1-c1ccc(-c2nc3ncc(Br)cc3[nH]2)nc1.
What is the InChIKey of 6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is LTWKEKDUZAZHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9BrF3N5/c18-10-6-13-15(24-8-10)26-16(25-13)12-4-3-9(7-23-12)14-11(17(19,20)21)2-1-5-22-14/h1-8H,(H,24,25,26).
What are the key properties of 6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridine?
6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 420.19 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 56948408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).