6-bromo-3-(1,1-difluoro-2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine

C9H8BrF2N3O — CID 58118956

IUPAC6-bromo-3-(1,1-difluoro-2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOCC(F)(F)c1nnc2ccc(Br)cn12
InChIInChI=1S/C9H8BrF2N3O/c1-16-5-9(11,12)8-14-13-7-3-2-6(10)4-15(7)8/h2-4H,5H2,1H3
InChIKeyIKQKUCKEMUOVTM-UHFFFAOYSA-N
MW292.08 g/mol
LogP2.23
Rot. Bonds3

About 6-bromo-3-(1,1-difluoro-2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine

6-bromo-3-(1,1-difluoro-2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 58118956) has the molecular formula C9H8BrF2N3O and a molecular weight of 292.08 g/mol. Its IUPAC name is 6-bromo-3-(1,1-difluoro-2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-(1,1-difluoro-2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID58118956
Molecular FormulaC9H8BrF2N3O
Molecular Weight292.08 g/mol
Exact Mass290.98
IUPAC Name6-bromo-3-(1,1-difluoro-2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOCC(F)(F)c1nnc2ccc(Br)cn12
InChIInChI=1S/C9H8BrF2N3O/c1-16-5-9(11,12)8-14-13-7-3-2-6(10)4-15(7)8/h2-4H,5H2,1H3
InChIKeyIKQKUCKEMUOVTM-UHFFFAOYSA-N
XLogP2.23
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.08
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(1,1-difluoro-2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-bromo-3-(1,1-difluoro-2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 58118956) is 6-bromo-3-(1,1-difluoro-2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-bromo-3-(1,1-difluoro-2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-bromo-3-(1,1-difluoro-2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine is COCC(F)(F)c1nnc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-3-(1,1-difluoro-2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is IKQKUCKEMUOVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2N3O/c1-16-5-9(11,12)8-14-13-7-3-2-6(10)4-15(7)8/h2-4H,5H2,1H3.
What are the key properties of 6-bromo-3-(1,1-difluoro-2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine?
6-bromo-3-(1,1-difluoro-2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 292.08 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(1,1-difluoro-2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 58118956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).