6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C19H11F5N4O — CID 58118970

IUPAC6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)c4cccnc4)cc3)cn12
InChIInChI=1S/C19H11F5N4O/c20-18(21,22)17-27-26-16-8-5-13(11-28(16)17)12-3-6-15(7-4-12)29-19(23,24)14-2-1-9-25-10-14/h1-11H
InChIKeyUHRWTDNBVGCUDY-UHFFFAOYSA-N
MW406.31 g/mol
LogP4.94
Rot. Bonds4

About 6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 58118970) has the molecular formula C19H11F5N4O and a molecular weight of 406.31 g/mol. Its IUPAC name is 6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID58118970
Molecular FormulaC19H11F5N4O
Molecular Weight406.31 g/mol
Exact Mass406.09
IUPAC Name6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)c4cccnc4)cc3)cn12
InChIInChI=1S/C19H11F5N4O/c20-18(21,22)17-27-26-16-8-5-13(11-28(16)17)12-3-6-15(7-4-12)29-19(23,24)14-2-1-9-25-10-14/h1-11H
InChIKeyUHRWTDNBVGCUDY-UHFFFAOYSA-N
XLogP4.94
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

6-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 66849611
3-[difluoro-[(2-pyridin-3-ylphenyl)methoxy]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 66849454
4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenol
CID 58118934
6-(4-benzylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 58118961
1-phenyl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]hydrazine
CID 123576831
1,1-difluoro-2-methyl-1-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-ol
CID 50908538
6-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 87178629
6-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 86650229
6-[2-bromo-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;pyridin-3-ylboronic acid;6-[2-pyridin-3-yl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 161316200
N-(4-chlorophenyl)-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]aniline
CID 66849849
3-[difluoro-[[2-(1,2,4-triazol-1-yl)phenyl]methoxy]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 66849852
6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-2H-[1,2,4]triazolo[1,5-a]pyridine
CID 150055944

Frequently Asked Questions

What is the IUPAC name of 6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 58118970) is 6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)c4cccnc4)cc3)cn12.
What is the InChIKey of 6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is UHRWTDNBVGCUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F5N4O/c20-18(21,22)17-27-26-16-8-5-13(11-28(16)17)12-3-6-15(7-4-12)29-19(23,24)14-2-1-9-25-10-14/h1-11H.
What are the key properties of 6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 406.31 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 58118970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).