7-bromo-5-cyclopropyl-2-methoxycarbonylpyrazolo[1,5-a]pyridine-3-carboxylic acid

C13H11BrN2O4 — CID 175521536

IUPAC7-bromo-5-cyclopropyl-2-methoxycarbonylpyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCOC(=O)c1nn2c(Br)cc(C3CC3)cc2c1C(=O)O
InChIInChI=1S/C13H11BrN2O4/c1-20-13(19)11-10(12(17)18)8-4-7(6-2-3-6)5-9(14)16(8)15-11/h4-6H,2-3H2,1H3,(H,17,18)
InChIKeyYSPXUHKZEFGZPL-UHFFFAOYSA-N
MW339.15 g/mol
LogP2.46
Rot. Bonds3

About 7-bromo-5-cyclopropyl-2-methoxycarbonylpyrazolo[1,5-a]pyridine-3-carboxylic acid

7-bromo-5-cyclopropyl-2-methoxycarbonylpyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 175521536) has the molecular formula C13H11BrN2O4 and a molecular weight of 339.15 g/mol. Its IUPAC name is 7-bromo-5-cyclopropyl-2-methoxycarbonylpyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-bromo-5-cyclopropyl-2-methoxycarbonylpyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID175521536
Molecular FormulaC13H11BrN2O4
Molecular Weight339.15 g/mol
Exact Mass337.99
IUPAC Name7-bromo-5-cyclopropyl-2-methoxycarbonylpyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCOC(=O)c1nn2c(Br)cc(C3CC3)cc2c1C(=O)O
InChIInChI=1S/C13H11BrN2O4/c1-20-13(19)11-10(12(17)18)8-4-7(6-2-3-6)5-9(14)16(8)15-11/h4-6H,2-3H2,1H3,(H,17,18)
InChIKeyYSPXUHKZEFGZPL-UHFFFAOYSA-N
XLogP2.46
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-cyclopropyl-2-methoxycarbonylpyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 7-bromo-5-cyclopropyl-2-methoxycarbonylpyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 175521536) is 7-bromo-5-cyclopropyl-2-methoxycarbonylpyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 7-bromo-5-cyclopropyl-2-methoxycarbonylpyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 7-bromo-5-cyclopropyl-2-methoxycarbonylpyrazolo[1,5-a]pyridine-3-carboxylic acid is COC(=O)c1nn2c(Br)cc(C3CC3)cc2c1C(=O)O.
What is the InChIKey of 7-bromo-5-cyclopropyl-2-methoxycarbonylpyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is YSPXUHKZEFGZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O4/c1-20-13(19)11-10(12(17)18)8-4-7(6-2-3-6)5-9(14)16(8)15-11/h4-6H,2-3H2,1H3,(H,17,18).
What are the key properties of 7-bromo-5-cyclopropyl-2-methoxycarbonylpyrazolo[1,5-a]pyridine-3-carboxylic acid?
7-bromo-5-cyclopropyl-2-methoxycarbonylpyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 339.15 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-cyclopropyl-2-methoxycarbonylpyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 175521536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).