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

C18H10BrF3N4 — CID 11697420

IUPAC6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cccnc1-c1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1
InChIInChI=1S/C18H10BrF3N4/c19-12-8-14-17(24-9-12)26-16(25-14)11-5-3-10(4-6-11)15-13(18(20,21)22)2-1-7-23-15/h1-9H,(H,24,25,26)
InChIKeyHKVZDXKFZLUOEW-UHFFFAOYSA-N
MW419.20 g/mol
LogP5.47
Rot. Bonds2

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

6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 11697420) has the molecular formula C18H10BrF3N4 and a molecular weight of 419.20 g/mol. Its IUPAC name is 6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridine
PubChem CID11697420
Molecular FormulaC18H10BrF3N4
Molecular Weight419.20 g/mol
Exact Mass418.00
IUPAC Name6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cccnc1-c1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1
InChIInChI=1S/C18H10BrF3N4/c19-12-8-14-17(24-9-12)26-16(25-14)11-5-3-10(4-6-11)15-13(18(20,21)22)2-1-7-23-15/h1-9H,(H,24,25,26)
InChIKeyHKVZDXKFZLUOEW-UHFFFAOYSA-N
XLogP5.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.20
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

PF-4708671
CID 51371303
5-(1H-pyrrolo(2,3-b)pyridin-3-ylmethyl)-N-((4-(trifluoromethyl)phenyl)methyl)pyridin-2-amine
CID 11545419
3-(4-(Piperidin-1-ylmethyl)phenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
CID 44545757
3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine
CID 10249182
Pyrido[4,3-d]pyrimidine deriv. 3z
CID 5328320
4-N-(3-bromophenyl)-6-N-[2-(1H-imidazol-4-yl)ethyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328367
N-(3-bromophenyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 5328385
N-(3-bromophenyl)-9H-pyrimido[4,5-b]indol-4-amine
CID 5328392
6-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538774
7-Benzyl-6-phenyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538796
4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyridine
CID 11011717
4-[7-(4-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-6-yl]pyridine
CID 11098241

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridine (CID 11697420) is 6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridine is FC(F)(F)c1cccnc1-c1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1.
What is the InChIKey of 6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is HKVZDXKFZLUOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrF3N4/c19-12-8-14-17(24-9-12)26-16(25-14)11-5-3-10(4-6-11)15-13(18(20,21)22)2-1-7-23-15/h1-9H,(H,24,25,26).
What are the key properties of 6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridine?
6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 419.20 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 11697420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).