4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoic acid

C21H11FN2O3 — CID 149319880

IUPAC4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoic acid
SMILESN#Cc1cc(-c2ccnc3cc(-c4ccc(C(=O)O)cc4)oc23)ccc1F
InChIInChI=1S/C21H11FN2O3/c22-17-6-5-14(9-15(17)11-23)16-7-8-24-18-10-19(27-20(16)18)12-1-3-13(4-2-12)21(25)26/h1-10H,(H,25,26)
InChIKeyYAGHIUDQIQUYIY-UHFFFAOYSA-N
MW358.33 g/mol
LogP4.87
Rot. Bonds3

About 4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoic acid

4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoic acid (PubChem CID 149319880) has the molecular formula C21H11FN2O3 and a molecular weight of 358.33 g/mol. Its IUPAC name is 4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoic acid
PubChem CID149319880
Molecular FormulaC21H11FN2O3
Molecular Weight358.33 g/mol
Exact Mass358.08
IUPAC Name4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoic acid
SMILESN#Cc1cc(-c2ccnc3cc(-c4ccc(C(=O)O)cc4)oc23)ccc1F
InChIInChI=1S/C21H11FN2O3/c22-17-6-5-14(9-15(17)11-23)16-7-8-24-18-10-19(27-20(16)18)12-1-3-13(4-2-12)21(25)26/h1-10H,(H,25,26)
InChIKeyYAGHIUDQIQUYIY-UHFFFAOYSA-N
XLogP4.87
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoic acid?
The IUPAC name of 4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoic acid (CID 149319880) is 4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoic acid.
What is the SMILES notation for 4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoic acid?
The canonical SMILES for 4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoic acid is N#Cc1cc(-c2ccnc3cc(-c4ccc(C(=O)O)cc4)oc23)ccc1F.
What is the InChIKey of 4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoic acid?
The InChIKey is YAGHIUDQIQUYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11FN2O3/c22-17-6-5-14(9-15(17)11-23)16-7-8-24-18-10-19(27-20(16)18)12-1-3-13(4-2-12)21(25)26/h1-10H,(H,25,26).
What are the key properties of 4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoic acid?
4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoic acid has a molecular weight of 358.33 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoic acid is sourced from PubChem (CID 149319880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).