2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetic acid

C15H12N2O3 — CID 53213909

IUPAC2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetic acid
SMILESO=C(O)CC1c2ncccc2C(=O)N1c1ccccc1
InChIInChI=1S/C15H12N2O3/c18-13(19)9-12-14-11(7-4-8-16-14)15(20)17(12)10-5-2-1-3-6-10/h1-8,12H,9H2,(H,18,19)
InChIKeyHUTYXDVCGXDXCW-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.26
Rot. Bonds3

About 2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetic acid

2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetic acid (PubChem CID 53213909) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetic acid.

Molecular Properties

Compound Name2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetic acid
PubChem CID53213909
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetic acid
SMILESO=C(O)CC1c2ncccc2C(=O)N1c1ccccc1
InChIInChI=1S/C15H12N2O3/c18-13(19)9-12-14-11(7-4-8-16-14)15(20)17(12)10-5-2-1-3-6-10/h1-8,12H,9H2,(H,18,19)
InChIKeyHUTYXDVCGXDXCW-UHFFFAOYSA-N
XLogP2.26
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetic acid?
The IUPAC name of 2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetic acid (CID 53213909) is 2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetic acid.
What is the SMILES notation for 2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetic acid?
The canonical SMILES for 2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetic acid is O=C(O)CC1c2ncccc2C(=O)N1c1ccccc1.
What is the InChIKey of 2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetic acid?
The InChIKey is HUTYXDVCGXDXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-13(19)9-12-14-11(7-4-8-16-14)15(20)17(12)10-5-2-1-3-6-10/h1-8,12H,9H2,(H,18,19).
What are the key properties of 2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetic acid?
2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetic acid has a molecular weight of 268.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetic acid is sourced from PubChem (CID 53213909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).