methyl 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetate

C9H8BrN3O2 — CID 116990029

IUPACmethyl 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetate
SMILESCOC(=O)Cc1nc2cc(Br)ccn2n1
InChIInChI=1S/C9H8BrN3O2/c1-15-9(14)5-7-11-8-4-6(10)2-3-13(8)12-7/h2-4H,5H2,1H3
InChIKeyDYZPLOANOKDHDJ-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.21
Rot. Bonds2

About methyl 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetate

methyl 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetate (PubChem CID 116990029) has the molecular formula C9H8BrN3O2 and a molecular weight of 270.09 g/mol. Its IUPAC name is methyl 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetate
PubChem CID116990029
Molecular FormulaC9H8BrN3O2
Molecular Weight270.09 g/mol
Exact Mass268.98
IUPAC Namemethyl 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetate
SMILESCOC(=O)Cc1nc2cc(Br)ccn2n1
InChIInChI=1S/C9H8BrN3O2/c1-15-9(14)5-7-11-8-4-6(10)2-3-13(8)12-7/h2-4H,5H2,1H3
InChIKeyDYZPLOANOKDHDJ-UHFFFAOYSA-N
XLogP1.21
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetate?
The IUPAC name of methyl 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetate (CID 116990029) is methyl 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetate.
What is the SMILES notation for methyl 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetate?
The canonical SMILES for methyl 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetate is COC(=O)Cc1nc2cc(Br)ccn2n1.
What is the InChIKey of methyl 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetate?
The InChIKey is DYZPLOANOKDHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2/c1-15-9(14)5-7-11-8-4-6(10)2-3-13(8)12-7/h2-4H,5H2,1H3.
What are the key properties of methyl 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetate?
methyl 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetate has a molecular weight of 270.09 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetate is sourced from PubChem (CID 116990029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).