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

C17H9BrF3N5 — CID 91353140

IUPAC6-bromo-2-[2-pyridin-3-yl-3-(trifluoromethyl)-4-pyridinyl]-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1c(-c2nc3ncc(Br)cc3[nH]2)ccnc1-c1cccnc1
InChIInChI=1S/C17H9BrF3N5/c18-10-6-12-16(24-8-10)26-15(25-12)11-3-5-23-14(13(11)17(19,20)21)9-2-1-4-22-7-9/h1-8H,(H,24,25,26)
InChIKeyOQTOVTMGPPZJHP-UHFFFAOYSA-N
MW420.19 g/mol
LogP4.86
Rot. Bonds2

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

6-bromo-2-[2-pyridin-3-yl-3-(trifluoromethyl)-4-pyridinyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 91353140) has the molecular formula C17H9BrF3N5 and a molecular weight of 420.19 g/mol. Its IUPAC name is 6-bromo-2-[2-pyridin-3-yl-3-(trifluoromethyl)-4-pyridinyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-[2-pyridin-3-yl-3-(trifluoromethyl)-4-pyridinyl]-1H-imidazo[4,5-b]pyridine
PubChem CID91353140
Molecular FormulaC17H9BrF3N5
Molecular Weight420.19 g/mol
Exact Mass419.00
IUPAC Name6-bromo-2-[2-pyridin-3-yl-3-(trifluoromethyl)-4-pyridinyl]-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1c(-c2nc3ncc(Br)cc3[nH]2)ccnc1-c1cccnc1
InChIInChI=1S/C17H9BrF3N5/c18-10-6-12-16(24-8-10)26-15(25-12)11-3-5-23-14(13(11)17(19,20)21)9-2-1-4-22-7-9/h1-8H,(H,24,25,26)
InChIKeyOQTOVTMGPPZJHP-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-[2-pyridin-3-yl-3-(trifluoromethyl)-4-pyridinyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-[2-pyridin-3-yl-3-(trifluoromethyl)-4-pyridinyl]-1H-imidazo[4,5-b]pyridine (CID 91353140) is 6-bromo-2-[2-pyridin-3-yl-3-(trifluoromethyl)-4-pyridinyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-[2-pyridin-3-yl-3-(trifluoromethyl)-4-pyridinyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-[2-pyridin-3-yl-3-(trifluoromethyl)-4-pyridinyl]-1H-imidazo[4,5-b]pyridine is FC(F)(F)c1c(-c2nc3ncc(Br)cc3[nH]2)ccnc1-c1cccnc1.
What is the InChIKey of 6-bromo-2-[2-pyridin-3-yl-3-(trifluoromethyl)-4-pyridinyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is OQTOVTMGPPZJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9BrF3N5/c18-10-6-12-16(24-8-10)26-15(25-12)11-3-5-23-14(13(11)17(19,20)21)9-2-1-4-22-7-9/h1-8H,(H,24,25,26).
What are the key properties of 6-bromo-2-[2-pyridin-3-yl-3-(trifluoromethyl)-4-pyridinyl]-1H-imidazo[4,5-b]pyridine?
6-bromo-2-[2-pyridin-3-yl-3-(trifluoromethyl)-4-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-[2-pyridin-3-yl-3-(trifluoromethyl)-4-pyridinyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 91353140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).