3-[2-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

C14H8F2N4O — CID 105392853

IUPAC3-[2-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2nnc(-c3ccccc3OC(F)F)n2c1
InChIInChI=1S/C14H8F2N4O/c15-14(16)21-11-4-2-1-3-10(11)13-19-18-12-6-5-9(7-17)8-20(12)13/h1-6,8,14H
InChIKeyOOFWIZQRGOYFTB-UHFFFAOYSA-N
MW286.24 g/mol
LogP2.87
Rot. Bonds3

About 3-[2-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

3-[2-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (PubChem CID 105392853) has the molecular formula C14H8F2N4O and a molecular weight of 286.24 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
PubChem CID105392853
Molecular FormulaC14H8F2N4O
Molecular Weight286.24 g/mol
Exact Mass286.07
IUPAC Name3-[2-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2nnc(-c3ccccc3OC(F)F)n2c1
InChIInChI=1S/C14H8F2N4O/c15-14(16)21-11-4-2-1-3-10(11)13-19-18-12-6-5-9(7-17)8-20(12)13/h1-6,8,14H
InChIKeyOOFWIZQRGOYFTB-UHFFFAOYSA-N
XLogP2.87
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chloro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392680
3-quinoxalin-5-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392570
3-quinolin-8-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392584
3-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392647
3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392541
3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392633
3-(1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392803
3-(5-methylfuran-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392776
2-[2-(difluoromethoxy)phenyl]-5-methylimidazo[1,2-a]pyridine
CID 115403932
3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392564
3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392749
2-[2-(difluoromethoxy)phenyl]-5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazole
CID 19550390

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The IUPAC name of 3-[2-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CID 105392853) is 3-[2-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-[2-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-[2-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is N#Cc1ccc2nnc(-c3ccccc3OC(F)F)n2c1.
What is the InChIKey of 3-[2-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The InChIKey is OOFWIZQRGOYFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N4O/c15-14(16)21-11-4-2-1-3-10(11)13-19-18-12-6-5-9(7-17)8-20(12)13/h1-6,8,14H.
What are the key properties of 3-[2-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
3-[2-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile has a molecular weight of 286.24 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is sourced from PubChem (CID 105392853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).