ethyl 5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate

C16H12BrFN2O2 — CID 73425259

IUPACethyl 5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)nn2ccc(Br)cc12
InChIInChI=1S/C16H12BrFN2O2/c1-2-22-16(21)14-13-9-11(17)7-8-20(13)19-15(14)10-3-5-12(18)6-4-10/h3-9H,2H2,1H3
InChIKeyHPTPQJUDJFTPBD-UHFFFAOYSA-N
MW363.19 g/mol
LogP4.08
Rot. Bonds3

About ethyl 5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 73425259) has the molecular formula C16H12BrFN2O2 and a molecular weight of 363.19 g/mol. Its IUPAC name is ethyl 5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID73425259
Molecular FormulaC16H12BrFN2O2
Molecular Weight363.19 g/mol
Exact Mass362.01
IUPAC Nameethyl 5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)nn2ccc(Br)cc12
InChIInChI=1S/C16H12BrFN2O2/c1-2-22-16(21)14-13-9-11(17)7-8-20(13)19-15(14)10-3-5-12(18)6-4-10/h3-9H,2H2,1H3
InChIKeyHPTPQJUDJFTPBD-UHFFFAOYSA-N
XLogP4.08
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.19
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate (CID 73425259) is ethyl 5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(F)cc2)nn2ccc(Br)cc12.
What is the InChIKey of ethyl 5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is HPTPQJUDJFTPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O2/c1-2-22-16(21)14-13-9-11(17)7-8-20(13)19-15(14)10-3-5-12(18)6-4-10/h3-9H,2H2,1H3.
What are the key properties of ethyl 5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 363.19 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 73425259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).