2-oxo-4-phenyl-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid

C18H11NO4 — CID 655080

IUPAC2-oxo-4-phenyl-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)c2oc3ccccc3c2[nH]c1=O
InChIInChI=1S/C18H11NO4/c20-17-14(18(21)22)13(10-6-2-1-3-7-10)16-15(19-17)11-8-4-5-9-12(11)23-16/h1-9H,(H,19,20)(H,21,22)
InChIKeyUDIMHEDOWCIESR-UHFFFAOYSA-N
MW305.29 g/mol
LogP3.64
Rot. Bonds2

About 2-oxo-4-phenyl-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid

2-oxo-4-phenyl-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid (PubChem CID 655080) has the molecular formula C18H11NO4 and a molecular weight of 305.29 g/mol. Its IUPAC name is 2-oxo-4-phenyl-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-4-phenyl-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid
PubChem CID655080
Molecular FormulaC18H11NO4
Molecular Weight305.29 g/mol
Exact Mass305.07
IUPAC Name2-oxo-4-phenyl-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)c2oc3ccccc3c2[nH]c1=O
InChIInChI=1S/C18H11NO4/c20-17-14(18(21)22)13(10-6-2-1-3-7-10)16-15(19-17)11-8-4-5-9-12(11)23-16/h1-9H,(H,19,20)(H,21,22)
InChIKeyUDIMHEDOWCIESR-UHFFFAOYSA-N
XLogP3.64
TPSA83.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-phenyl-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-oxo-4-phenyl-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid (CID 655080) is 2-oxo-4-phenyl-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-4-phenyl-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-oxo-4-phenyl-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid is O=C(O)c1c(-c2ccccc2)c2oc3ccccc3c2[nH]c1=O.
What is the InChIKey of 2-oxo-4-phenyl-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid?
The InChIKey is UDIMHEDOWCIESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO4/c20-17-14(18(21)22)13(10-6-2-1-3-7-10)16-15(19-17)11-8-4-5-9-12(11)23-16/h1-9H,(H,19,20)(H,21,22).
What are the key properties of 2-oxo-4-phenyl-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid?
2-oxo-4-phenyl-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid has a molecular weight of 305.29 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-phenyl-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 655080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).