6-bromo-3-chloropyrazolo[1,5-a]pyridine-2-carboxylic acid

C8H4BrClN2O2 — CID 118989163

IUPAC6-bromo-3-chloropyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nn2cc(Br)ccc2c1Cl
InChIInChI=1S/C8H4BrClN2O2/c9-4-1-2-5-6(10)7(8(13)14)11-12(5)3-4/h1-3H,(H,13,14)
InChIKeyURSVNVRSJIKXJO-UHFFFAOYSA-N
MW275.49 g/mol
LogP2.45
Rot. Bonds1

About 6-bromo-3-chloropyrazolo[1,5-a]pyridine-2-carboxylic acid

6-bromo-3-chloropyrazolo[1,5-a]pyridine-2-carboxylic acid (PubChem CID 118989163) has the molecular formula C8H4BrClN2O2 and a molecular weight of 275.49 g/mol. Its IUPAC name is 6-bromo-3-chloropyrazolo[1,5-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-bromo-3-chloropyrazolo[1,5-a]pyridine-2-carboxylic acid
PubChem CID118989163
Molecular FormulaC8H4BrClN2O2
Molecular Weight275.49 g/mol
Exact Mass273.91
IUPAC Name6-bromo-3-chloropyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nn2cc(Br)ccc2c1Cl
InChIInChI=1S/C8H4BrClN2O2/c9-4-1-2-5-6(10)7(8(13)14)11-12(5)3-4/h1-3H,(H,13,14)
InChIKeyURSVNVRSJIKXJO-UHFFFAOYSA-N
XLogP2.45
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.49
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloropyrazolo[1,5-a]pyridine-2-carboxylic acid?
The IUPAC name of 6-bromo-3-chloropyrazolo[1,5-a]pyridine-2-carboxylic acid (CID 118989163) is 6-bromo-3-chloropyrazolo[1,5-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-bromo-3-chloropyrazolo[1,5-a]pyridine-2-carboxylic acid?
The canonical SMILES for 6-bromo-3-chloropyrazolo[1,5-a]pyridine-2-carboxylic acid is O=C(O)c1nn2cc(Br)ccc2c1Cl.
What is the InChIKey of 6-bromo-3-chloropyrazolo[1,5-a]pyridine-2-carboxylic acid?
The InChIKey is URSVNVRSJIKXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2O2/c9-4-1-2-5-6(10)7(8(13)14)11-12(5)3-4/h1-3H,(H,13,14).
What are the key properties of 6-bromo-3-chloropyrazolo[1,5-a]pyridine-2-carboxylic acid?
6-bromo-3-chloropyrazolo[1,5-a]pyridine-2-carboxylic acid has a molecular weight of 275.49 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-chloropyrazolo[1,5-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 118989163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).