2-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetic acid

C14H11N3O2 — CID 155918517

IUPAC2-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2[nH]nc3ncccc23)c1
InChIInChI=1S/C14H11N3O2/c18-12(19)8-9-3-1-4-10(7-9)13-11-5-2-6-15-14(11)17-16-13/h1-7H,8H2,(H,18,19)(H,15,16,17)
InChIKeyCILVJZDKQQJVFZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.25
Rot. Bonds3

About 2-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetic acid

2-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetic acid (PubChem CID 155918517) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetic acid
PubChem CID155918517
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2[nH]nc3ncccc23)c1
InChIInChI=1S/C14H11N3O2/c18-12(19)8-9-3-1-4-10(7-9)13-11-5-2-6-15-14(11)17-16-13/h1-7H,8H2,(H,18,19)(H,15,16,17)
InChIKeyCILVJZDKQQJVFZ-UHFFFAOYSA-N
XLogP2.25
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetic acid?
The IUPAC name of 2-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetic acid (CID 155918517) is 2-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetic acid?
The canonical SMILES for 2-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetic acid is O=C(O)Cc1cccc(-c2[nH]nc3ncccc23)c1.
What is the InChIKey of 2-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetic acid?
The InChIKey is CILVJZDKQQJVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-12(19)8-9-3-1-4-10(7-9)13-11-5-2-6-15-14(11)17-16-13/h1-7H,8H2,(H,18,19)(H,15,16,17).
What are the key properties of 2-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetic acid?
2-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetic acid has a molecular weight of 253.26 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetic acid is sourced from PubChem (CID 155918517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).