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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Related Compounds

Ethyl 3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 21067290
Ethyl 2-(4-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 1101194
Ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 5114916
Propan-2-yl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate
CID 162652675
3-Ethoxycarbonyl-1-(2-fluorbenzyl)-1H-pyrazolo-(3,4,5)-pyridin
CID 11162345
methyl 1H-pyrazolo[3,4-b]pyridine-3-carboxylate
CID 52911269
ethyl 5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo(3,4-b)pyridine-3-carboxylate
CID 56849011
Ethyl 1,3-dimethyl-6-pyridin-4-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 2997652
Ethyl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 71601939
Ethyl 6-amino-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate
CID 118732285
Ethyl 6-[(4-bromobenzoyl)amino]-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate
CID 118732299
Ethyl 6-[bis(4-bromobenzoyl)amino]-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxylate
CID 118732302

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).