ethyl 2-(6-bromo-3-methylpyrazolo[4,5-b]pyridin-1-yl)acetate

C11H12BrN3O2 — CID 155389731

IUPACethyl 2-(6-bromo-3-methylpyrazolo[4,5-b]pyridin-1-yl)acetate
SMILESCCOC(=O)Cn1nc(C)c2ncc(Br)cc21
InChIInChI=1S/C11H12BrN3O2/c1-3-17-10(16)6-15-9-4-8(12)5-13-11(9)7(2)14-15/h4-5H,3,6H2,1-2H3
InChIKeyMDAMCYKQUAUKOO-UHFFFAOYSA-N
MW298.14 g/mol
LogP2.07
Rot. Bonds3

About ethyl 2-(6-bromo-3-methylpyrazolo[4,5-b]pyridin-1-yl)acetate

ethyl 2-(6-bromo-3-methylpyrazolo[4,5-b]pyridin-1-yl)acetate (PubChem CID 155389731) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is ethyl 2-(6-bromo-3-methylpyrazolo[4,5-b]pyridin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-bromo-3-methylpyrazolo[4,5-b]pyridin-1-yl)acetate
PubChem CID155389731
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Nameethyl 2-(6-bromo-3-methylpyrazolo[4,5-b]pyridin-1-yl)acetate
SMILESCCOC(=O)Cn1nc(C)c2ncc(Br)cc21
InChIInChI=1S/C11H12BrN3O2/c1-3-17-10(16)6-15-9-4-8(12)5-13-11(9)7(2)14-15/h4-5H,3,6H2,1-2H3
InChIKeyMDAMCYKQUAUKOO-UHFFFAOYSA-N
XLogP2.07
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(5-bromo-2-methyl-3-pyridinyl)acetate
CID 133098025
ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;hydrochloride
CID 75485346
ethyl 2-[3-[amino(hydroxy)methyl]-5-bromoindazol-1-yl]acetate
CID 130322770
ethyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 77231410
ethyl 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)acetate
CID 10890940
methyl 5-[(4-bromophenyl)methyl]-1-(2-ethoxy-2-oxoethyl)-3-methylpyrazole-4-carboxylate
CID 18944078
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate
CID 50888392
ethyl 2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 68745175
methyl 6-(3-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19497977
2-(2-ethoxy-2-oxoethyl)-4,5-dimethylpyrazole-3-carboxylic acid
CID 170618786
ethyl 2-(3-bromo-4-nitroindazol-1-yl)acetate
CID 67261176
ethyl 2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetate
CID 9136125

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-bromo-3-methylpyrazolo[4,5-b]pyridin-1-yl)acetate?
The IUPAC name of ethyl 2-(6-bromo-3-methylpyrazolo[4,5-b]pyridin-1-yl)acetate (CID 155389731) is ethyl 2-(6-bromo-3-methylpyrazolo[4,5-b]pyridin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(6-bromo-3-methylpyrazolo[4,5-b]pyridin-1-yl)acetate?
The canonical SMILES for ethyl 2-(6-bromo-3-methylpyrazolo[4,5-b]pyridin-1-yl)acetate is CCOC(=O)Cn1nc(C)c2ncc(Br)cc21.
What is the InChIKey of ethyl 2-(6-bromo-3-methylpyrazolo[4,5-b]pyridin-1-yl)acetate?
The InChIKey is MDAMCYKQUAUKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-3-17-10(16)6-15-9-4-8(12)5-13-11(9)7(2)14-15/h4-5H,3,6H2,1-2H3.
What are the key properties of ethyl 2-(6-bromo-3-methylpyrazolo[4,5-b]pyridin-1-yl)acetate?
ethyl 2-(6-bromo-3-methylpyrazolo[4,5-b]pyridin-1-yl)acetate has a molecular weight of 298.14 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-bromo-3-methylpyrazolo[4,5-b]pyridin-1-yl)acetate is sourced from PubChem (CID 155389731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).