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

C8H6BrF2N3O — CID 152944796

IUPAC6-bromo-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOC(F)(F)c1nnc2ccc(Br)cn12
InChIInChI=1S/C8H6BrF2N3O/c1-15-8(10,11)7-13-12-6-3-2-5(9)4-14(6)7/h2-4H,1H3
InChIKeyUNNPFDBQNRJUTF-UHFFFAOYSA-N
MW278.06 g/mol
LogP2.19
Rot. Bonds2

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

6-bromo-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 152944796) has the molecular formula C8H6BrF2N3O and a molecular weight of 278.06 g/mol. Its IUPAC name is 6-bromo-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID152944796
Molecular FormulaC8H6BrF2N3O
Molecular Weight278.06 g/mol
Exact Mass276.97
IUPAC Name6-bromo-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOC(F)(F)c1nnc2ccc(Br)cn12
InChIInChI=1S/C8H6BrF2N3O/c1-15-8(10,11)7-13-12-6-3-2-5(9)4-14(6)7/h2-4H,1H3
InChIKeyUNNPFDBQNRJUTF-UHFFFAOYSA-N
XLogP2.19
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.06
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-bromo-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 152944796) is 6-bromo-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-bromo-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-bromo-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine is COC(F)(F)c1nnc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is UNNPFDBQNRJUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2N3O/c1-15-8(10,11)7-13-12-6-3-2-5(9)4-14(6)7/h2-4H,1H3.
What are the key properties of 6-bromo-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
6-bromo-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 278.06 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 152944796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).