2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylic acid

C10H8BrN3O2 — CID 116989919

IUPAC2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1nc2ccc(Br)cn2n1
InChIInChI=1S/C10H8BrN3O2/c11-5-1-2-8-12-9(13-14(8)4-5)6-3-7(6)10(15)16/h1-2,4,6-7H,3H2,(H,15,16)
InChIKeyTUTZSKOXUGCLLI-UHFFFAOYSA-N
MW282.10 g/mol
LogP1.68
Rot. Bonds2

About 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylic acid

2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 116989919) has the molecular formula C10H8BrN3O2 and a molecular weight of 282.10 g/mol. Its IUPAC name is 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylic acid
PubChem CID116989919
Molecular FormulaC10H8BrN3O2
Molecular Weight282.10 g/mol
Exact Mass280.98
IUPAC Name2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1nc2ccc(Br)cn2n1
InChIInChI=1S/C10H8BrN3O2/c11-5-1-2-8-12-9(13-14(8)4-5)6-3-7(6)10(15)16/h1-2,4,6-7H,3H2,(H,15,16)
InChIKeyTUTZSKOXUGCLLI-UHFFFAOYSA-N
XLogP1.68
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
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-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylic acid (CID 116989919) is 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1nc2ccc(Br)cn2n1.
What is the InChIKey of 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is TUTZSKOXUGCLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2/c11-5-1-2-8-12-9(13-14(8)4-5)6-3-7(6)10(15)16/h1-2,4,6-7H,3H2,(H,15,16).
What are the key properties of 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylic acid?
2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 282.10 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-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116989919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).