ethyl 6-(4-bromophenyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxylate

C15H12BrN3O2 — CID 68787287

IUPACethyl 6-(4-bromophenyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(Br)cc2)nc2[nH]ncc12
InChIInChI=1S/C15H12BrN3O2/c1-2-21-15(20)11-7-13(9-3-5-10(16)6-4-9)18-14-12(11)8-17-19-14/h3-8H,2H2,1H3,(H,17,18,19)
InChIKeyMNCYMGFBUICKDP-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.56
Rot. Bonds3

About ethyl 6-(4-bromophenyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxylate

ethyl 6-(4-bromophenyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 68787287) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is ethyl 6-(4-bromophenyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-bromophenyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID68787287
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Nameethyl 6-(4-bromophenyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(Br)cc2)nc2[nH]ncc12
InChIInChI=1S/C15H12BrN3O2/c1-2-21-15(20)11-7-13(9-3-5-10(16)6-4-9)18-14-12(11)8-17-19-14/h3-8H,2H2,1H3,(H,17,18,19)
InChIKeyMNCYMGFBUICKDP-UHFFFAOYSA-N
XLogP3.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-bromophenyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 6-(4-bromophenyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxylate (CID 68787287) is ethyl 6-(4-bromophenyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 6-(4-bromophenyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 6-(4-bromophenyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccc(Br)cc2)nc2[nH]ncc12.
What is the InChIKey of ethyl 6-(4-bromophenyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is MNCYMGFBUICKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c1-2-21-15(20)11-7-13(9-3-5-10(16)6-4-9)18-14-12(11)8-17-19-14/h3-8H,2H2,1H3,(H,17,18,19).
What are the key properties of ethyl 6-(4-bromophenyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxylate?
ethyl 6-(4-bromophenyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 346.18 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-bromophenyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 68787287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).