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

C11H12BrF2N3O — CID 153370809

IUPAC6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)COC(F)(F)c1nnc2ccc(Br)cn12
InChIInChI=1S/C11H12BrF2N3O/c1-7(2)6-18-11(13,14)10-16-15-9-4-3-8(12)5-17(9)10/h3-5,7H,6H2,1-2H3
InChIKeyLCGSXWGFMKRWTD-UHFFFAOYSA-N
MW320.14 g/mol
LogP3.21
Rot. Bonds4

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

6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 153370809) has the molecular formula C11H12BrF2N3O and a molecular weight of 320.14 g/mol. Its IUPAC name is 6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID153370809
Molecular FormulaC11H12BrF2N3O
Molecular Weight320.14 g/mol
Exact Mass319.01
IUPAC Name6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)COC(F)(F)c1nnc2ccc(Br)cn12
InChIInChI=1S/C11H12BrF2N3O/c1-7(2)6-18-11(13,14)10-16-15-9-4-3-8(12)5-17(9)10/h3-5,7H,6H2,1-2H3
InChIKeyLCGSXWGFMKRWTD-UHFFFAOYSA-N
XLogP3.21
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.14
LogP ≤ 53.21
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(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 153370809) is 6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine is CC(C)COC(F)(F)c1nnc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is LCGSXWGFMKRWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2N3O/c1-7(2)6-18-11(13,14)10-16-15-9-4-3-8(12)5-17(9)10/h3-5,7H,6H2,1-2H3.
What are the key properties of 6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 320.14 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[difluoro(2-methylpropoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 153370809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).