2-(2-chloro-5-cyanophenoxy)-6-(3,5-difluorophenyl)pyridine-3-carboxylic acid

C19H9ClF2N2O3 — CID 68773140

IUPAC2-(2-chloro-5-cyanophenoxy)-6-(3,5-difluorophenyl)pyridine-3-carboxylic acid
SMILESN#Cc1ccc(Cl)c(Oc2nc(-c3cc(F)cc(F)c3)ccc2C(=O)O)c1
InChIInChI=1S/C19H9ClF2N2O3/c20-15-3-1-10(9-23)5-17(15)27-18-14(19(25)26)2-4-16(24-18)11-6-12(21)8-13(22)7-11/h1-8H,(H,25,26)
InChIKeyIBCSZOOLWVQNJF-UHFFFAOYSA-N
MW386.74 g/mol
LogP5.04
Rot. Bonds4

About 2-(2-chloro-5-cyanophenoxy)-6-(3,5-difluorophenyl)pyridine-3-carboxylic acid

2-(2-chloro-5-cyanophenoxy)-6-(3,5-difluorophenyl)pyridine-3-carboxylic acid (PubChem CID 68773140) has the molecular formula C19H9ClF2N2O3 and a molecular weight of 386.74 g/mol. Its IUPAC name is 2-(2-chloro-5-cyanophenoxy)-6-(3,5-difluorophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-chloro-5-cyanophenoxy)-6-(3,5-difluorophenyl)pyridine-3-carboxylic acid
PubChem CID68773140
Molecular FormulaC19H9ClF2N2O3
Molecular Weight386.74 g/mol
Exact Mass386.03
IUPAC Name2-(2-chloro-5-cyanophenoxy)-6-(3,5-difluorophenyl)pyridine-3-carboxylic acid
SMILESN#Cc1ccc(Cl)c(Oc2nc(-c3cc(F)cc(F)c3)ccc2C(=O)O)c1
InChIInChI=1S/C19H9ClF2N2O3/c20-15-3-1-10(9-23)5-17(15)27-18-14(19(25)26)2-4-16(24-18)11-6-12(21)8-13(22)7-11/h1-8H,(H,25,26)
InChIKeyIBCSZOOLWVQNJF-UHFFFAOYSA-N
XLogP5.04
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.74
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-chloro-5-cyanophenoxy)-6-(3,5-difluorophenyl)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 2-(2-chloro-5-cyanophenoxy)-6-(3,5-difluorophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-chloro-5-cyanophenoxy)-6-(3,5-difluorophenyl)pyridine-3-carboxylic acid (CID 68773140) is 2-(2-chloro-5-cyanophenoxy)-6-(3,5-difluorophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-chloro-5-cyanophenoxy)-6-(3,5-difluorophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-chloro-5-cyanophenoxy)-6-(3,5-difluorophenyl)pyridine-3-carboxylic acid is N#Cc1ccc(Cl)c(Oc2nc(-c3cc(F)cc(F)c3)ccc2C(=O)O)c1.
What is the InChIKey of 2-(2-chloro-5-cyanophenoxy)-6-(3,5-difluorophenyl)pyridine-3-carboxylic acid?
The InChIKey is IBCSZOOLWVQNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9ClF2N2O3/c20-15-3-1-10(9-23)5-17(15)27-18-14(19(25)26)2-4-16(24-18)11-6-12(21)8-13(22)7-11/h1-8H,(H,25,26).
What are the key properties of 2-(2-chloro-5-cyanophenoxy)-6-(3,5-difluorophenyl)pyridine-3-carboxylic acid?
2-(2-chloro-5-cyanophenoxy)-6-(3,5-difluorophenyl)pyridine-3-carboxylic acid has a molecular weight of 386.74 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-cyanophenoxy)-6-(3,5-difluorophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 68773140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).