3-(6-bromotriazolo[4,5-b]pyridin-3-yl)propanoic acid

C8H7BrN4O2 — CID 83681307

IUPAC3-(6-bromotriazolo[4,5-b]pyridin-3-yl)propanoic acid
SMILESO=C(O)CCn1nnc2cc(Br)cnc21
InChIInChI=1S/C8H7BrN4O2/c9-5-3-6-8(10-4-5)13(12-11-6)2-1-7(14)15/h3-4H,1-2H2,(H,14,15)
InChIKeyYDSMQJXXNQBEBT-UHFFFAOYSA-N
MW271.07 g/mol
LogP1.06
Rot. Bonds3

About 3-(6-bromotriazolo[4,5-b]pyridin-3-yl)propanoic acid

3-(6-bromotriazolo[4,5-b]pyridin-3-yl)propanoic acid (PubChem CID 83681307) has the molecular formula C8H7BrN4O2 and a molecular weight of 271.07 g/mol. Its IUPAC name is 3-(6-bromotriazolo[4,5-b]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-bromotriazolo[4,5-b]pyridin-3-yl)propanoic acid
PubChem CID83681307
Molecular FormulaC8H7BrN4O2
Molecular Weight271.07 g/mol
Exact Mass269.98
IUPAC Name3-(6-bromotriazolo[4,5-b]pyridin-3-yl)propanoic acid
SMILESO=C(O)CCn1nnc2cc(Br)cnc21
InChIInChI=1S/C8H7BrN4O2/c9-5-3-6-8(10-4-5)13(12-11-6)2-1-7(14)15/h3-4H,1-2H2,(H,14,15)
InChIKeyYDSMQJXXNQBEBT-UHFFFAOYSA-N
XLogP1.06
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromotriazolo[4,5-b]pyridin-3-yl)propanoic acid?
The IUPAC name of 3-(6-bromotriazolo[4,5-b]pyridin-3-yl)propanoic acid (CID 83681307) is 3-(6-bromotriazolo[4,5-b]pyridin-3-yl)propanoic acid.
What is the SMILES notation for 3-(6-bromotriazolo[4,5-b]pyridin-3-yl)propanoic acid?
The canonical SMILES for 3-(6-bromotriazolo[4,5-b]pyridin-3-yl)propanoic acid is O=C(O)CCn1nnc2cc(Br)cnc21.
What is the InChIKey of 3-(6-bromotriazolo[4,5-b]pyridin-3-yl)propanoic acid?
The InChIKey is YDSMQJXXNQBEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O2/c9-5-3-6-8(10-4-5)13(12-11-6)2-1-7(14)15/h3-4H,1-2H2,(H,14,15).
What are the key properties of 3-(6-bromotriazolo[4,5-b]pyridin-3-yl)propanoic acid?
3-(6-bromotriazolo[4,5-b]pyridin-3-yl)propanoic acid has a molecular weight of 271.07 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromotriazolo[4,5-b]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 83681307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).