6-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-hydroxyprop-2-enyl]pyridine-3-carboxylic acid

C20H16FNO4 — CID 141025272

IUPAC6-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-hydroxyprop-2-enyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(O)C=Cc2ccc(Cc3ccc(F)cc3)o2)nc1
InChIInChI=1S/C20H16FNO4/c21-15-4-1-13(2-5-15)11-17-7-6-16(26-17)8-10-19(23)18-9-3-14(12-22-18)20(24)25/h1-10,12,19,23H,11H2,(H,24,25)
InChIKeyRORZBMGNJUHIGG-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.85
Rot. Bonds6

About 6-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-hydroxyprop-2-enyl]pyridine-3-carboxylic acid

6-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-hydroxyprop-2-enyl]pyridine-3-carboxylic acid (PubChem CID 141025272) has the molecular formula C20H16FNO4 and a molecular weight of 353.35 g/mol. Its IUPAC name is 6-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-hydroxyprop-2-enyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-hydroxyprop-2-enyl]pyridine-3-carboxylic acid
PubChem CID141025272
Molecular FormulaC20H16FNO4
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Name6-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-hydroxyprop-2-enyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(O)C=Cc2ccc(Cc3ccc(F)cc3)o2)nc1
InChIInChI=1S/C20H16FNO4/c21-15-4-1-13(2-5-15)11-17-7-6-16(26-17)8-10-19(23)18-9-3-14(12-22-18)20(24)25/h1-10,12,19,23H,11H2,(H,24,25)
InChIKeyRORZBMGNJUHIGG-UHFFFAOYSA-N
XLogP3.85
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-hydroxyprop-2-enyl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-hydroxyprop-2-enyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-hydroxyprop-2-enyl]pyridine-3-carboxylic acid (CID 141025272) is 6-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-hydroxyprop-2-enyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-hydroxyprop-2-enyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-hydroxyprop-2-enyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(C(O)C=Cc2ccc(Cc3ccc(F)cc3)o2)nc1.
What is the InChIKey of 6-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-hydroxyprop-2-enyl]pyridine-3-carboxylic acid?
The InChIKey is RORZBMGNJUHIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO4/c21-15-4-1-13(2-5-15)11-17-7-6-16(26-17)8-10-19(23)18-9-3-14(12-22-18)20(24)25/h1-10,12,19,23H,11H2,(H,24,25).
What are the key properties of 6-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-hydroxyprop-2-enyl]pyridine-3-carboxylic acid?
6-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-hydroxyprop-2-enyl]pyridine-3-carboxylic acid has a molecular weight of 353.35 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-hydroxyprop-2-enyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 141025272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).