ethyl 3-bromopyrazolo[1,5-a]pyridine-7-carboxylate

C10H9BrN2O2 — CID 131437495

IUPACethyl 3-bromopyrazolo[1,5-a]pyridine-7-carboxylate
SMILESCCOC(=O)c1cccc2c(Br)cnn12
InChIInChI=1S/C10H9BrN2O2/c1-2-15-10(14)9-5-3-4-8-7(11)6-12-13(8)9/h3-6H,2H2,1H3
InChIKeyLBJSDKYDPPINOT-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.27
Rot. Bonds2

About ethyl 3-bromopyrazolo[1,5-a]pyridine-7-carboxylate

ethyl 3-bromopyrazolo[1,5-a]pyridine-7-carboxylate (PubChem CID 131437495) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is ethyl 3-bromopyrazolo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromopyrazolo[1,5-a]pyridine-7-carboxylate
PubChem CID131437495
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Nameethyl 3-bromopyrazolo[1,5-a]pyridine-7-carboxylate
SMILESCCOC(=O)c1cccc2c(Br)cnn12
InChIInChI=1S/C10H9BrN2O2/c1-2-15-10(14)9-5-3-4-8-7(11)6-12-13(8)9/h3-6H,2H2,1H3
InChIKeyLBJSDKYDPPINOT-UHFFFAOYSA-N
XLogP2.27
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-ethoxycarbonyl-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 44550354
ethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 57387343
ethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate
CID 57142997
ethyl 7-carbamoylpyrrolo[1,2-b]pyridazine-5-carboxylate
CID 121224109
ethyl 1-(methylamino)pyrrole-2-carboxylate
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ethyl 1-formylpyrrole-2-carboxylate
CID 69374156
ethyl 3-(4-bromoindazol-1-yl)propanoate
CID 67236964
ethyl 4-bromo-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylate
CID 22311024
ethyl 3-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxylate
CID 13480896
ethyl 4-bromo-1-[(2S)-butan-2-yl]pyrazole-5-carboxylate
CID 121300379
ethyl 3-(4-bromophenyl)triazole-4-carboxylate
CID 71266147
ethyl 4-bromo-1-butylpyrazole-5-carboxylate
CID 122171224

Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromopyrazolo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of ethyl 3-bromopyrazolo[1,5-a]pyridine-7-carboxylate (CID 131437495) is ethyl 3-bromopyrazolo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 3-bromopyrazolo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for ethyl 3-bromopyrazolo[1,5-a]pyridine-7-carboxylate is CCOC(=O)c1cccc2c(Br)cnn12.
What is the InChIKey of ethyl 3-bromopyrazolo[1,5-a]pyridine-7-carboxylate?
The InChIKey is LBJSDKYDPPINOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-2-15-10(14)9-5-3-4-8-7(11)6-12-13(8)9/h3-6H,2H2,1H3.
What are the key properties of ethyl 3-bromopyrazolo[1,5-a]pyridine-7-carboxylate?
ethyl 3-bromopyrazolo[1,5-a]pyridine-7-carboxylate has a molecular weight of 269.10 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromopyrazolo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 131437495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).