6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-2H-[1,2,4]triazolo[1,5-a]pyridine

C19H13F5N4O — CID 150055944

IUPAC6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-2H-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)(Oc1ccc(C2=CN3C(=NCN3C(F)(F)F)C=C2)cc1)c1cccnc1
InChIInChI=1S/C19H13F5N4O/c20-18(21,15-2-1-9-25-10-15)29-16-6-3-13(4-7-16)14-5-8-17-26-12-28(19(22,23)24)27(17)11-14/h1-11H,12H2
InChIKeyDMHKZHLCFFHTNK-UHFFFAOYSA-N
MW408.33 g/mol
LogP4.53
Rot. Bonds4

About 6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-2H-[1,2,4]triazolo[1,5-a]pyridine

6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-2H-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 150055944) has the molecular formula C19H13F5N4O and a molecular weight of 408.33 g/mol. Its IUPAC name is 6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-2H-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-2H-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID150055944
Molecular FormulaC19H13F5N4O
Molecular Weight408.33 g/mol
Exact Mass408.10
IUPAC Name6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-2H-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)(Oc1ccc(C2=CN3C(=NCN3C(F)(F)F)C=C2)cc1)c1cccnc1
InChIInChI=1S/C19H13F5N4O/c20-18(21,15-2-1-9-25-10-15)29-16-6-3-13(4-7-16)14-5-8-17-26-12-28(19(22,23)24)27(17)11-14/h1-11H,12H2
InChIKeyDMHKZHLCFFHTNK-UHFFFAOYSA-N
XLogP4.53
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-2H-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-2H-[1,2,4]triazolo[1,5-a]pyridine (CID 150055944) is 6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-2H-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-2H-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-2H-[1,2,4]triazolo[1,5-a]pyridine is FC(F)(Oc1ccc(C2=CN3C(=NCN3C(F)(F)F)C=C2)cc1)c1cccnc1.
What is the InChIKey of 6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-2H-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is DMHKZHLCFFHTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5N4O/c20-18(21,15-2-1-9-25-10-15)29-16-6-3-13(4-7-16)14-5-8-17-26-12-28(19(22,23)24)27(17)11-14/h1-11H,12H2.
What are the key properties of 6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-2H-[1,2,4]triazolo[1,5-a]pyridine?
6-[4-[difluoro(pyridin-3-yl)methoxy]phenyl]-3-(trifluoromethyl)-2H-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 408.33 g/mol, XLogP of 4.53, 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)-2H-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 150055944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).