ethane;6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid

C19H20FNO3 — CID 143034040

IUPACethane;6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid
SMILESCC.O=C(O)c1cccc(C2=C(c3cc(F)ccc3O)CCC2)n1
InChIInChI=1S/C17H14FNO3.C2H6/c18-10-7-8-16(20)13(9-10)11-3-1-4-12(11)14-5-2-6-15(19-14)17(21)22;1-2/h2,5-9,20H,1,3-4H2,(H,21,22);1-2H3
InChIKeyOWYHCLCDUSEUBX-UHFFFAOYSA-N
MW329.37 g/mol
LogP4.75
Rot. Bonds3

About ethane;6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid

ethane;6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid (PubChem CID 143034040) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is ethane;6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Nameethane;6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid
PubChem CID143034040
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Nameethane;6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid
SMILESCC.O=C(O)c1cccc(C2=C(c3cc(F)ccc3O)CCC2)n1
InChIInChI=1S/C17H14FNO3.C2H6/c18-10-7-8-16(20)13(9-10)11-3-1-4-12(11)14-5-2-6-15(19-14)17(21)22;1-2/h2,5-9,20H,1,3-4H2,(H,21,22);1-2H3
InChIKeyOWYHCLCDUSEUBX-UHFFFAOYSA-N
XLogP4.75
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-2-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 ethane;6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of ethane;6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid (CID 143034040) is ethane;6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for ethane;6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for ethane;6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid is CC.O=C(O)c1cccc(C2=C(c3cc(F)ccc3O)CCC2)n1.
What is the InChIKey of ethane;6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid?
The InChIKey is OWYHCLCDUSEUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3.C2H6/c18-10-7-8-16(20)13(9-10)11-3-1-4-12(11)14-5-2-6-15(19-14)17(21)22;1-2/h2,5-9,20H,1,3-4H2,(H,21,22);1-2H3.
What are the key properties of ethane;6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid?
ethane;6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid has a molecular weight of 329.37 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 143034040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).