ethyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate

C11H13N3O4 — CID 171866282

IUPACethyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate
SMILESCCOC(=O)C(O)C(O)c1[nH]nc2ncccc12
InChIInChI=1S/C11H13N3O4/c1-2-18-11(17)9(16)8(15)7-6-4-3-5-12-10(6)14-13-7/h3-5,8-9,15-16H,2H2,1H3,(H,12,13,14)
InChIKeyZRXJKWLFZINSFL-UHFFFAOYSA-N
MW251.24 g/mol
LogP-0.08
Rot. Bonds4

About ethyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate

ethyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate (PubChem CID 171866282) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is ethyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate
PubChem CID171866282
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Nameethyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate
SMILESCCOC(=O)C(O)C(O)c1[nH]nc2ncccc12
InChIInChI=1S/C11H13N3O4/c1-2-18-11(17)9(16)8(15)7-6-4-3-5-12-10(6)14-13-7/h3-5,8-9,15-16H,2H2,1H3,(H,12,13,14)
InChIKeyZRXJKWLFZINSFL-UHFFFAOYSA-N
XLogP-0.08
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate
CID 171864239
ethyl 2,3-dihydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 171866265
tert-butyl (2S)-2-hydroxy-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetate
CID 97305562
ethyl 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoate
CID 76681112
2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylic acid
CID 171866199
1-(2H-pyrazolo[3,4-b]pyridin-3-yl)propan-1-one
CID 134369259
ethyl 2,3-dihydroxy-3-(4-pyridin-2-ylphenyl)propanoate
CID 171866921
ethane;3-methyl-2H-pyrazolo[3,4-b]pyridine;propane
CID 143179270
ethyl 3-(2-ethylphenyl)-2,3-dihydroxypropanoate
CID 171865666
ethyl 2,3-dihydroxy-3-(2-sulfanylphenyl)propanoate
CID 171865532
ethyl 2,3-dihydroxy-3-(4-methylpyrimidin-2-yl)propanoate
CID 171865570
ethyl (2S,3R)-2,3-dihydroxy-3-(1H-pyrrol-2-yl)propanoate
CID 101221503

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate?
The IUPAC name of ethyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate (CID 171866282) is ethyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate.
What is the SMILES notation for ethyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate?
The canonical SMILES for ethyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate is CCOC(=O)C(O)C(O)c1[nH]nc2ncccc12.
What is the InChIKey of ethyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate?
The InChIKey is ZRXJKWLFZINSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-2-18-11(17)9(16)8(15)7-6-4-3-5-12-10(6)14-13-7/h3-5,8-9,15-16H,2H2,1H3,(H,12,13,14).
What are the key properties of ethyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate?
ethyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate has a molecular weight of 251.24 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate is sourced from PubChem (CID 171866282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).