3-bromopyridine;6-(4-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenol

C36H23BrF6N8O2 — CID 158854937

IUPAC3-bromopyridine;6-(4-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenol
SMILESBrc1cccnc1.FC(F)(F)c1nnc2ccc(-c3ccc(Oc4cccnc4)cc3)cn12.Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1
InChIInChI=1S/C18H11F3N4O.C13H8F3N3O.C5H4BrN/c19-18(20,21)17-24-23-16-8-5-13(11-25(16)17)12-3-6-14(7-4-12)26-15-2-1-9-22-10-15;14-13(15,16)12-18-17-11-6-3-9(7-19(11)12)8-1-4-10(20)5-2-8;6-5-2-1-3-7-4-5/h1-11H;1-7,20H;1-4H
InChIKeyIZXUNZLNFZCSOW-UHFFFAOYSA-N
MW793.53 g/mol
LogP9.57
Rot. Bonds4

About 3-bromopyridine;6-(4-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenol

3-bromopyridine;6-(4-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenol (PubChem CID 158854937) has the molecular formula C36H23BrF6N8O2 and a molecular weight of 793.53 g/mol. Its IUPAC name is 3-bromopyridine;6-(4-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenol.

Molecular Properties

Compound Name3-bromopyridine;6-(4-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenol
PubChem CID158854937
Molecular FormulaC36H23BrF6N8O2
Molecular Weight793.53 g/mol
Exact Mass792.10
IUPAC Name3-bromopyridine;6-(4-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenol
SMILESBrc1cccnc1.FC(F)(F)c1nnc2ccc(-c3ccc(Oc4cccnc4)cc3)cn12.Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1
InChIInChI=1S/C18H11F3N4O.C13H8F3N3O.C5H4BrN/c19-18(20,21)17-24-23-16-8-5-13(11-25(16)17)12-3-6-14(7-4-12)26-15-2-1-9-22-10-15;14-13(15,16)12-18-17-11-6-3-9(7-19(11)12)8-1-4-10(20)5-2-8;6-5-2-1-3-7-4-5/h1-11H;1-7,20H;1-4H
InChIKeyIZXUNZLNFZCSOW-UHFFFAOYSA-N
XLogP9.57
TPSA115.62 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.53
LogP ≤ 59.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-bromopyridine;6-(4-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenol with MolForge

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Related Compounds

7-[4-(2,6-Dimethylpyridin-3-yl)oxy-3-fluorophenyl]-3-(ethoxymethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 66787433
3-[Difluoro(pyridin-4-ylmethoxy)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 50908508
6-(4-Pyridin-3-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 58118981
3-[Difluoro-[(2-piperidin-1-ylpyridin-4-yl)methoxy]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 66849476
3-[Difluoro-[(3-pyridin-3-ylphenyl)methoxy]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 66849846
1-[3-(2-Cyclopropylethynyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-4-ium-1-yl]-2-methyl-4-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]but-3-yn-2-ol
CID 123718373
6-[6-(3,3-Difluoro-2-methylbutan-2-yl)oxy-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 153370756
3-[Cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;ethane;3-[1-fluoro-1-(2-methylpropoxy)ethyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 153370890
6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;methane
CID 157049576
6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;methane
CID 157049577
2-Bromo-1-iodo-4-(trifluoromethoxy)benzene;6-[2-bromo-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]boronic acid
CID 157654551
6-Bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;methane
CID 157691448

Frequently Asked Questions

What is the IUPAC name of 3-bromopyridine;6-(4-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenol?
The IUPAC name of 3-bromopyridine;6-(4-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenol (CID 158854937) is 3-bromopyridine;6-(4-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenol.
What is the SMILES notation for 3-bromopyridine;6-(4-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenol?
The canonical SMILES for 3-bromopyridine;6-(4-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenol is Brc1cccnc1.FC(F)(F)c1nnc2ccc(-c3ccc(Oc4cccnc4)cc3)cn12.Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1.
What is the InChIKey of 3-bromopyridine;6-(4-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenol?
The InChIKey is IZXUNZLNFZCSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O.C13H8F3N3O.C5H4BrN/c19-18(20,21)17-24-23-16-8-5-13(11-25(16)17)12-3-6-14(7-4-12)26-15-2-1-9-22-10-15;14-13(15,16)12-18-17-11-6-3-9(7-19(11)12)8-1-4-10(20)5-2-8;6-5-2-1-3-7-4-5/h1-11H;1-7,20H;1-4H.
What are the key properties of 3-bromopyridine;6-(4-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenol?
3-bromopyridine;6-(4-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenol has a molecular weight of 793.53 g/mol, XLogP of 9.57, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopyridine;6-(4-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenol is sourced from PubChem (CID 158854937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).