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

C20H13NO3 — CID 155391753

IUPAC5-(4-phenylphenyl)furo[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(-c4ccccc4)cc3)ccc2o1
InChIInChI=1S/C20H13NO3/c22-20(23)19-12-17-18(24-19)11-10-16(21-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23)
InChIKeySOBXZVUDGLRNOL-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.86
Rot. Bonds3

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

5-(4-phenylphenyl)furo[3,2-b]pyridine-2-carboxylic acid (PubChem CID 155391753) has the molecular formula C20H13NO3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-(4-phenylphenyl)furo[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-phenylphenyl)furo[3,2-b]pyridine-2-carboxylic acid
PubChem CID155391753
Molecular FormulaC20H13NO3
Molecular Weight315.33 g/mol
Exact Mass315.09
IUPAC Name5-(4-phenylphenyl)furo[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(-c4ccccc4)cc3)ccc2o1
InChIInChI=1S/C20H13NO3/c22-20(23)19-12-17-18(24-19)11-10-16(21-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23)
InChIKeySOBXZVUDGLRNOL-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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Related Compounds

2-(4-fluorophenyl)-5-phenylfuro[3,2-b]pyridine
CID 155629114
2-(5-phenyl-1,3-benzoxazol-2-yl)acetic acid
CID 23468057
2-[4-(2,6-dimethylphenyl)phenyl]-5-(3-phenylphenyl)furo[3,2-b]pyridine
CID 155629004
2-(2,6-dimethylphenyl)-5-(3-phenylphenyl)furo[3,2-b]pyridine
CID 155628953
5-(4-phenylphenyl)furo[2,3-b]pyridine-2-carboxylic acid
CID 155391838
2-amino-3-(2-phenylquinolin-6-yl)propanoic acid
CID 90896454
(5-phenyl-1,3-benzoxazol-2-yl)methanol
CID 22062842
2-(4-tert-butyl-2,6-dimethylphenyl)-5-phenylfuro[3,2-b]pyridine
CID 155628521
7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid
CID 122574086
benzo[f][1]benzofuran-2-carboxylic acid
CID 21450579
4-(5-amino-1,3-benzoxazol-2-yl)benzoic acid
CID 45361799
2-methanidyl-5-phenyl-1,3-benzoxazole;yttrium
CID 59968233

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)furo[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 5-(4-phenylphenyl)furo[3,2-b]pyridine-2-carboxylic acid (CID 155391753) is 5-(4-phenylphenyl)furo[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(4-phenylphenyl)furo[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 5-(4-phenylphenyl)furo[3,2-b]pyridine-2-carboxylic acid is O=C(O)c1cc2nc(-c3ccc(-c4ccccc4)cc3)ccc2o1.
What is the InChIKey of 5-(4-phenylphenyl)furo[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is SOBXZVUDGLRNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO3/c22-20(23)19-12-17-18(24-19)11-10-16(21-17)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[3,2-b]pyridine-2-carboxylic acid?
5-(4-phenylphenyl)furo[3,2-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[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 155391753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).