2-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid

C8H5BrN2O2 — CID 83487988

IUPAC2-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccn2nc(Br)cc2c1
InChIInChI=1S/C8H5BrN2O2/c9-7-4-6-3-5(8(12)13)1-2-11(6)10-7/h1-4H,(H,12,13)
InChIKeyRRQDEZBUMDBNCS-UHFFFAOYSA-N
MW241.04 g/mol
LogP1.79
Rot. Bonds1

About 2-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid

2-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 83487988) has the molecular formula C8H5BrN2O2 and a molecular weight of 241.04 g/mol. Its IUPAC name is 2-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID83487988
Molecular FormulaC8H5BrN2O2
Molecular Weight241.04 g/mol
Exact Mass239.95
IUPAC Name2-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccn2nc(Br)cc2c1
InChIInChI=1S/C8H5BrN2O2/c9-7-4-6-3-5(8(12)13)1-2-11(6)10-7/h1-4H,(H,12,13)
InChIKeyRRQDEZBUMDBNCS-UHFFFAOYSA-N
XLogP1.79
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.04
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
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pyrrolo[1,2-b]pyridazine-6-carboxylic acid
CID 22473177
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CID 82566784
3-(2-carboxyethyl)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 84741033
oxophosphane;terephthalic acid
CID 175391404
ethyl 2-phenylpyrazolo[1,5-a]pyridine-5-carboxylate
CID 46223052
5-bromo-2-methylpyrazolo[1,5-a]pyridine
CID 82394705
4-bromo-3-(tetrazol-1-yl)benzoic acid
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CID 69239446

Frequently Asked Questions

What is the IUPAC name of 2-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid (CID 83487988) is 2-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid is O=C(O)c1ccn2nc(Br)cc2c1.
What is the InChIKey of 2-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is RRQDEZBUMDBNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O2/c9-7-4-6-3-5(8(12)13)1-2-11(6)10-7/h1-4H,(H,12,13).
What are the key properties of 2-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid?
2-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 241.04 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 83487988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).