4-bromo-6-fluoropyrazolo[1,5-a]pyridine-2-carboxylic acid

C8H4BrFN2O2 — CID 131697615

IUPAC4-bromo-6-fluoropyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(Br)cc(F)cn2n1
InChIInChI=1S/C8H4BrFN2O2/c9-5-1-4(10)3-12-7(5)2-6(11-12)8(13)14/h1-3H,(H,13,14)
InChIKeyIETYXCMTANOPTQ-UHFFFAOYSA-N
MW259.03 g/mol
LogP1.93
Rot. Bonds1

About 4-bromo-6-fluoropyrazolo[1,5-a]pyridine-2-carboxylic acid

4-bromo-6-fluoropyrazolo[1,5-a]pyridine-2-carboxylic acid (PubChem CID 131697615) has the molecular formula C8H4BrFN2O2 and a molecular weight of 259.03 g/mol. Its IUPAC name is 4-bromo-6-fluoropyrazolo[1,5-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-6-fluoropyrazolo[1,5-a]pyridine-2-carboxylic acid
PubChem CID131697615
Molecular FormulaC8H4BrFN2O2
Molecular Weight259.03 g/mol
Exact Mass257.94
IUPAC Name4-bromo-6-fluoropyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(Br)cc(F)cn2n1
InChIInChI=1S/C8H4BrFN2O2/c9-5-1-4(10)3-12-7(5)2-6(11-12)8(13)14/h1-3H,(H,13,14)
InChIKeyIETYXCMTANOPTQ-UHFFFAOYSA-N
XLogP1.93
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.03
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoropyrazolo[1,5-a]pyridine-2-carboxylic acid?
The IUPAC name of 4-bromo-6-fluoropyrazolo[1,5-a]pyridine-2-carboxylic acid (CID 131697615) is 4-bromo-6-fluoropyrazolo[1,5-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-bromo-6-fluoropyrazolo[1,5-a]pyridine-2-carboxylic acid?
The canonical SMILES for 4-bromo-6-fluoropyrazolo[1,5-a]pyridine-2-carboxylic acid is O=C(O)c1cc2c(Br)cc(F)cn2n1.
What is the InChIKey of 4-bromo-6-fluoropyrazolo[1,5-a]pyridine-2-carboxylic acid?
The InChIKey is IETYXCMTANOPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFN2O2/c9-5-1-4(10)3-12-7(5)2-6(11-12)8(13)14/h1-3H,(H,13,14).
What are the key properties of 4-bromo-6-fluoropyrazolo[1,5-a]pyridine-2-carboxylic acid?
4-bromo-6-fluoropyrazolo[1,5-a]pyridine-2-carboxylic acid has a molecular weight of 259.03 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoropyrazolo[1,5-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 131697615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).