2-[3-cyano-5-fluoro-4-(2-methylpropoxy)phenyl]pyridine-4-carboxylic acid

C17H15FN2O3 — CID 11544166

IUPAC2-[3-cyano-5-fluoro-4-(2-methylpropoxy)phenyl]pyridine-4-carboxylic acid
SMILESCC(C)COc1c(F)cc(-c2cc(C(=O)O)ccn2)cc1C#N
InChIInChI=1S/C17H15FN2O3/c1-10(2)9-23-16-13(8-19)5-12(6-14(16)18)15-7-11(17(21)22)3-4-20-15/h3-7,10H,9H2,1-2H3,(H,21,22)
InChIKeyNUCDAXXFVVYXFL-UHFFFAOYSA-N
MW314.32 g/mol
LogP3.49
Rot. Bonds5

About 2-[3-cyano-5-fluoro-4-(2-methylpropoxy)phenyl]pyridine-4-carboxylic acid

2-[3-cyano-5-fluoro-4-(2-methylpropoxy)phenyl]pyridine-4-carboxylic acid (PubChem CID 11544166) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-[3-cyano-5-fluoro-4-(2-methylpropoxy)phenyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-cyano-5-fluoro-4-(2-methylpropoxy)phenyl]pyridine-4-carboxylic acid
PubChem CID11544166
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name2-[3-cyano-5-fluoro-4-(2-methylpropoxy)phenyl]pyridine-4-carboxylic acid
SMILESCC(C)COc1c(F)cc(-c2cc(C(=O)O)ccn2)cc1C#N
InChIInChI=1S/C17H15FN2O3/c1-10(2)9-23-16-13(8-19)5-12(6-14(16)18)15-7-11(17(21)22)3-4-20-15/h3-7,10H,9H2,1-2H3,(H,21,22)
InChIKeyNUCDAXXFVVYXFL-UHFFFAOYSA-N
XLogP3.49
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-cyano-5-fluoro-4-(2-methylpropoxy)phenyl]pyridine-4-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 2-[3-cyano-5-fluoro-4-(2-methylpropoxy)phenyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[3-cyano-5-fluoro-4-(2-methylpropoxy)phenyl]pyridine-4-carboxylic acid (CID 11544166) is 2-[3-cyano-5-fluoro-4-(2-methylpropoxy)phenyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[3-cyano-5-fluoro-4-(2-methylpropoxy)phenyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[3-cyano-5-fluoro-4-(2-methylpropoxy)phenyl]pyridine-4-carboxylic acid is CC(C)COc1c(F)cc(-c2cc(C(=O)O)ccn2)cc1C#N.
What is the InChIKey of 2-[3-cyano-5-fluoro-4-(2-methylpropoxy)phenyl]pyridine-4-carboxylic acid?
The InChIKey is NUCDAXXFVVYXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-10(2)9-23-16-13(8-19)5-12(6-14(16)18)15-7-11(17(21)22)3-4-20-15/h3-7,10H,9H2,1-2H3,(H,21,22).
What are the key properties of 2-[3-cyano-5-fluoro-4-(2-methylpropoxy)phenyl]pyridine-4-carboxylic acid?
2-[3-cyano-5-fluoro-4-(2-methylpropoxy)phenyl]pyridine-4-carboxylic acid has a molecular weight of 314.32 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyano-5-fluoro-4-(2-methylpropoxy)phenyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 11544166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).