3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoic acid

C20H12FNO3 — CID 59233741

IUPAC3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2cnc3oc(-c4ccc(F)cc4)cc3c2)c1
InChIInChI=1S/C20H12FNO3/c21-17-6-4-12(5-7-17)18-10-15-9-16(11-22-19(15)25-18)13-2-1-3-14(8-13)20(23)24/h1-11H,(H,23,24)
InChIKeyMRXVNSSKWXYACG-UHFFFAOYSA-N
MW333.32 g/mol
LogP5.00
Rot. Bonds3

About 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoic acid

3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoic acid (PubChem CID 59233741) has the molecular formula C20H12FNO3 and a molecular weight of 333.32 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoic acid.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoic acid
PubChem CID59233741
Molecular FormulaC20H12FNO3
Molecular Weight333.32 g/mol
Exact Mass333.08
IUPAC Name3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2cnc3oc(-c4ccc(F)cc4)cc3c2)c1
InChIInChI=1S/C20H12FNO3/c21-17-6-4-12(5-7-17)18-10-15-9-16(11-22-19(15)25-18)13-2-1-3-14(8-13)20(23)24/h1-11H,(H,23,24)
InChIKeyMRXVNSSKWXYACG-UHFFFAOYSA-N
XLogP5.00
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoic acid?
The IUPAC name of 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoic acid (CID 59233741) is 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoic acid.
What is the SMILES notation for 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoic acid?
The canonical SMILES for 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoic acid is O=C(O)c1cccc(-c2cnc3oc(-c4ccc(F)cc4)cc3c2)c1.
What is the InChIKey of 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoic acid?
The InChIKey is MRXVNSSKWXYACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FNO3/c21-17-6-4-12(5-7-17)18-10-15-9-16(11-22-19(15)25-18)13-2-1-3-14(8-13)20(23)24/h1-11H,(H,23,24).
What are the key properties of 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoic acid?
3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoic acid has a molecular weight of 333.32 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoic acid is sourced from PubChem (CID 59233741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).