5-(4-phenylphenyl)furo[2,3-b]pyridine-2-carboxylic acid

C20H13NO3 — CID 155391838

IUPAC5-(4-phenylphenyl)furo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cc(-c3ccc(-c4ccccc4)cc3)cnc2o1
InChIInChI=1S/C20H13NO3/c22-20(23)18-11-16-10-17(12-21-19(16)24-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23)
InChIKeySNIOTFWUDUUIRI-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.86
Rot. Bonds3

About 5-(4-phenylphenyl)furo[2,3-b]pyridine-2-carboxylic acid

5-(4-phenylphenyl)furo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 155391838) has the molecular formula C20H13NO3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-(4-phenylphenyl)furo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-phenylphenyl)furo[2,3-b]pyridine-2-carboxylic acid
PubChem CID155391838
Molecular FormulaC20H13NO3
Molecular Weight315.33 g/mol
Exact Mass315.09
IUPAC Name5-(4-phenylphenyl)furo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cc(-c3ccc(-c4ccccc4)cc3)cnc2o1
InChIInChI=1S/C20H13NO3/c22-20(23)18-11-16-10-17(12-21-19(16)24-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23)
InChIKeySNIOTFWUDUUIRI-UHFFFAOYSA-N
XLogP4.86
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)furo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 5-(4-phenylphenyl)furo[2,3-b]pyridine-2-carboxylic acid (CID 155391838) is 5-(4-phenylphenyl)furo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(4-phenylphenyl)furo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 5-(4-phenylphenyl)furo[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1cc2cc(-c3ccc(-c4ccccc4)cc3)cnc2o1.
What is the InChIKey of 5-(4-phenylphenyl)furo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is SNIOTFWUDUUIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO3/c22-20(23)18-11-16-10-17(12-21-19(16)24-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23).
What are the key properties of 5-(4-phenylphenyl)furo[2,3-b]pyridine-2-carboxylic acid?
5-(4-phenylphenyl)furo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)furo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 155391838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).