1-(5-bromopyrazolo[1,5-a]pyridin-2-yl)ethanone

C9H7BrN2O — CID 84700999

IUPAC1-(5-bromopyrazolo[1,5-a]pyridin-2-yl)ethanone
SMILESCC(=O)c1cc2cc(Br)ccn2n1
InChIInChI=1S/C9H7BrN2O/c1-6(13)9-5-8-4-7(10)2-3-12(8)11-9/h2-5H,1H3
InChIKeyGDZIQNZUNKEWHV-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.30
Rot. Bonds1

About 1-(5-bromopyrazolo[1,5-a]pyridin-2-yl)ethanone

1-(5-bromopyrazolo[1,5-a]pyridin-2-yl)ethanone (PubChem CID 84700999) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 1-(5-bromopyrazolo[1,5-a]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromopyrazolo[1,5-a]pyridin-2-yl)ethanone
PubChem CID84700999
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name1-(5-bromopyrazolo[1,5-a]pyridin-2-yl)ethanone
SMILESCC(=O)c1cc2cc(Br)ccn2n1
InChIInChI=1S/C9H7BrN2O/c1-6(13)9-5-8-4-7(10)2-3-12(8)11-9/h2-5H,1H3
InChIKeyGDZIQNZUNKEWHV-UHFFFAOYSA-N
XLogP2.30
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methylpyrazolo[1,5-a]pyridine
CID 82394705
ethane;1-pyrazolo[1,5-a]pyridin-2-ylethanone
CID 143047322
(5-bromopyrazolo[1,5-a]pyridin-2-yl)methanamine
CID 83839811
5-methoxypyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 69239446
1-(4-methylpyrazolo[1,5-a]pyridin-2-yl)ethanone
CID 84654900
ethane;N,N,5-trimethylpyrazolo[1,5-a]pyridine-2-carboxamide
CID 176934638
2-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid
CID 83487988
1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)propan-2-one
CID 83900635
1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]ethanone
CID 82966911
1-(7-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-one
CID 117254007
2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
CID 116990013
1-(5-bromo-2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one
CID 58493469

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrazolo[1,5-a]pyridin-2-yl)ethanone?
The IUPAC name of 1-(5-bromopyrazolo[1,5-a]pyridin-2-yl)ethanone (CID 84700999) is 1-(5-bromopyrazolo[1,5-a]pyridin-2-yl)ethanone.
What is the SMILES notation for 1-(5-bromopyrazolo[1,5-a]pyridin-2-yl)ethanone?
The canonical SMILES for 1-(5-bromopyrazolo[1,5-a]pyridin-2-yl)ethanone is CC(=O)c1cc2cc(Br)ccn2n1.
What is the InChIKey of 1-(5-bromopyrazolo[1,5-a]pyridin-2-yl)ethanone?
The InChIKey is GDZIQNZUNKEWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c1-6(13)9-5-8-4-7(10)2-3-12(8)11-9/h2-5H,1H3.
What are the key properties of 1-(5-bromopyrazolo[1,5-a]pyridin-2-yl)ethanone?
1-(5-bromopyrazolo[1,5-a]pyridin-2-yl)ethanone has a molecular weight of 239.07 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrazolo[1,5-a]pyridin-2-yl)ethanone is sourced from PubChem (CID 84700999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).