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

C9H8BrN3O2 — CID 116990013

IUPAC2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
SMILESCC(C(=O)O)c1nc2cc(Br)ccn2n1
InChIInChI=1S/C9H8BrN3O2/c1-5(9(14)15)8-11-7-4-6(10)2-3-13(7)12-8/h2-5H,1H3,(H,14,15)
InChIKeyKNPDJQRSVNHRSK-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.68
Rot. Bonds2

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

2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid (PubChem CID 116990013) has the molecular formula C9H8BrN3O2 and a molecular weight of 270.09 g/mol. Its IUPAC name is 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
PubChem CID116990013
Molecular FormulaC9H8BrN3O2
Molecular Weight270.09 g/mol
Exact Mass268.98
IUPAC Name2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
SMILESCC(C(=O)O)c1nc2cc(Br)ccn2n1
InChIInChI=1S/C9H8BrN3O2/c1-5(9(14)15)8-11-7-4-6(10)2-3-13(7)12-8/h2-5H,1H3,(H,14,15)
InChIKeyKNPDJQRSVNHRSK-UHFFFAOYSA-N
XLogP1.68
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid?
The IUPAC name of 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid (CID 116990013) is 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid.
What is the SMILES notation for 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid?
The canonical SMILES for 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid is CC(C(=O)O)c1nc2cc(Br)ccn2n1.
What is the InChIKey of 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid?
The InChIKey is KNPDJQRSVNHRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2/c1-5(9(14)15)8-11-7-4-6(10)2-3-13(7)12-8/h2-5H,1H3,(H,14,15).
What are the key properties of 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid?
2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid has a molecular weight of 270.09 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid is sourced from PubChem (CID 116990013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).