2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,2-difluoroethanol

C8H6BrF2N3O — CID 58118922

IUPAC2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,2-difluoroethanol
SMILESOCC(F)(F)c1nnc2ccc(Br)cn12
InChIInChI=1S/C8H6BrF2N3O/c9-5-1-2-6-12-13-7(14(6)3-5)8(10,11)4-15/h1-3,15H,4H2
InChIKeyPHALHBRNZYIMBJ-UHFFFAOYSA-N
MW278.06 g/mol
LogP1.58
Rot. Bonds2

About 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,2-difluoroethanol

2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,2-difluoroethanol (PubChem CID 58118922) has the molecular formula C8H6BrF2N3O and a molecular weight of 278.06 g/mol. Its IUPAC name is 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,2-difluoroethanol
PubChem CID58118922
Molecular FormulaC8H6BrF2N3O
Molecular Weight278.06 g/mol
Exact Mass276.97
IUPAC Name2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,2-difluoroethanol
SMILESOCC(F)(F)c1nnc2ccc(Br)cn12
InChIInChI=1S/C8H6BrF2N3O/c9-5-1-2-6-12-13-7(14(6)3-5)8(10,11)4-15/h1-3,15H,4H2
InChIKeyPHALHBRNZYIMBJ-UHFFFAOYSA-N
XLogP1.58
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.06
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,2-difluoroethanol?
The IUPAC name of 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,2-difluoroethanol (CID 58118922) is 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,2-difluoroethanol?
The canonical SMILES for 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,2-difluoroethanol is OCC(F)(F)c1nnc2ccc(Br)cn12.
What is the InChIKey of 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,2-difluoroethanol?
The InChIKey is PHALHBRNZYIMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2N3O/c9-5-1-2-6-12-13-7(14(6)3-5)8(10,11)4-15/h1-3,15H,4H2.
What are the key properties of 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,2-difluoroethanol?
2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,2-difluoroethanol has a molecular weight of 278.06 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,2-difluoroethanol is sourced from PubChem (CID 58118922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).