ethyl 1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate

C15H12BrN3O2 — CID 110458367

IUPACethyl 1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2cccc(Br)c2)c2ncccc12
InChIInChI=1S/C15H12BrN3O2/c1-2-21-15(20)13-12-7-4-8-17-14(12)19(18-13)11-6-3-5-10(16)9-11/h3-9H,2H2,1H3
InChIKeyUPGBGSGQXUAPAW-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.36
Rot. Bonds3

About ethyl 1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate

ethyl 1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate (PubChem CID 110458367) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is ethyl 1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate
PubChem CID110458367
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Nameethyl 1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2cccc(Br)c2)c2ncccc12
InChIInChI=1S/C15H12BrN3O2/c1-2-21-15(20)13-12-7-4-8-17-14(12)19(18-13)11-6-3-5-10(16)9-11/h3-9H,2H2,1H3
InChIKeyUPGBGSGQXUAPAW-UHFFFAOYSA-N
XLogP3.36
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate (CID 110458367) is ethyl 1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate is CCOC(=O)c1nn(-c2cccc(Br)c2)c2ncccc12.
What is the InChIKey of ethyl 1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
The InChIKey is UPGBGSGQXUAPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c1-2-21-15(20)13-12-7-4-8-17-14(12)19(18-13)11-6-3-5-10(16)9-11/h3-9H,2H2,1H3.
What are the key properties of ethyl 1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
ethyl 1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate has a molecular weight of 346.18 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-bromophenyl)pyrazolo[5,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 110458367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).