6-azido-3-(difluoromethyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine

C8H6F2N6O — CID 121268869

IUPAC6-azido-3-(difluoromethyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cc(N=[N+]=[N-])cn2c(C(F)F)nnc12
InChIInChI=1S/C8H6F2N6O/c1-17-5-2-4(12-15-11)3-16-7(5)13-14-8(16)6(9)10/h2-3,6H,1H3
InChIKeyXVXYOSPLFQFODM-UHFFFAOYSA-N
MW240.17 g/mol
LogP2.62
Rot. Bonds3

About 6-azido-3-(difluoromethyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine

6-azido-3-(difluoromethyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 121268869) has the molecular formula C8H6F2N6O and a molecular weight of 240.17 g/mol. Its IUPAC name is 6-azido-3-(difluoromethyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-azido-3-(difluoromethyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID121268869
Molecular FormulaC8H6F2N6O
Molecular Weight240.17 g/mol
Exact Mass240.06
IUPAC Name6-azido-3-(difluoromethyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cc(N=[N+]=[N-])cn2c(C(F)F)nnc12
InChIInChI=1S/C8H6F2N6O/c1-17-5-2-4(12-15-11)3-16-7(5)13-14-8(16)6(9)10/h2-3,6H,1H3
InChIKeyXVXYOSPLFQFODM-UHFFFAOYSA-N
XLogP2.62
TPSA88.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-azido-3-(difluoromethyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-azido-3-(difluoromethyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine (CID 121268869) is 6-azido-3-(difluoromethyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-azido-3-(difluoromethyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-azido-3-(difluoromethyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine is COc1cc(N=[N+]=[N-])cn2c(C(F)F)nnc12.
What is the InChIKey of 6-azido-3-(difluoromethyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is XVXYOSPLFQFODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N6O/c1-17-5-2-4(12-15-11)3-16-7(5)13-14-8(16)6(9)10/h2-3,6H,1H3.
What are the key properties of 6-azido-3-(difluoromethyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
6-azido-3-(difluoromethyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 240.17 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-3-(difluoromethyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 121268869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).