2,7-dibromo-8-ethoxy-[1,2,4]triazolo[1,5-a]pyridine

C8H7Br2N3O — CID 169045184

IUPAC2,7-dibromo-8-ethoxy-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCOc1c(Br)ccn2nc(Br)nc12
InChIInChI=1S/C8H7Br2N3O/c1-2-14-6-5(9)3-4-13-7(6)11-8(10)12-13/h3-4H,2H2,1H3
InChIKeyNQXUMFSUELVSQO-UHFFFAOYSA-N
MW320.97 g/mol
LogP2.65
Rot. Bonds2

About 2,7-dibromo-8-ethoxy-[1,2,4]triazolo[1,5-a]pyridine

2,7-dibromo-8-ethoxy-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 169045184) has the molecular formula C8H7Br2N3O and a molecular weight of 320.97 g/mol. Its IUPAC name is 2,7-dibromo-8-ethoxy-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2,7-dibromo-8-ethoxy-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID169045184
Molecular FormulaC8H7Br2N3O
Molecular Weight320.97 g/mol
Exact Mass318.90
IUPAC Name2,7-dibromo-8-ethoxy-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCOc1c(Br)ccn2nc(Br)nc12
InChIInChI=1S/C8H7Br2N3O/c1-2-14-6-5(9)3-4-13-7(6)11-8(10)12-13/h3-4H,2H2,1H3
InChIKeyNQXUMFSUELVSQO-UHFFFAOYSA-N
XLogP2.65
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.97
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-8-ethoxy-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2,7-dibromo-8-ethoxy-[1,2,4]triazolo[1,5-a]pyridine (CID 169045184) is 2,7-dibromo-8-ethoxy-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2,7-dibromo-8-ethoxy-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2,7-dibromo-8-ethoxy-[1,2,4]triazolo[1,5-a]pyridine is CCOc1c(Br)ccn2nc(Br)nc12.
What is the InChIKey of 2,7-dibromo-8-ethoxy-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NQXUMFSUELVSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2N3O/c1-2-14-6-5(9)3-4-13-7(6)11-8(10)12-13/h3-4H,2H2,1H3.
What are the key properties of 2,7-dibromo-8-ethoxy-[1,2,4]triazolo[1,5-a]pyridine?
2,7-dibromo-8-ethoxy-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 320.97 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-8-ethoxy-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 169045184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).