5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid

C12H7ClFNO3 — CID 16784100

IUPAC5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Oc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C12H7ClFNO3/c13-10-5-7(12(16)17)6-15-11(10)18-9-3-1-8(14)2-4-9/h1-6H,(H,16,17)
InChIKeyOIUXNZQXQLHYBX-UHFFFAOYSA-N
MW267.64 g/mol
LogP3.36
Rot. Bonds3

About 5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid

5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid (PubChem CID 16784100) has the molecular formula C12H7ClFNO3 and a molecular weight of 267.64 g/mol. Its IUPAC name is 5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid
PubChem CID16784100
Molecular FormulaC12H7ClFNO3
Molecular Weight267.64 g/mol
Exact Mass267.01
IUPAC Name5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Oc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C12H7ClFNO3/c13-10-5-7(12(16)17)6-15-11(10)18-9-3-1-8(14)2-4-9/h1-6H,(H,16,17)
InChIKeyOIUXNZQXQLHYBX-UHFFFAOYSA-N
XLogP3.36
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.64
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid (CID 16784100) is 5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid is O=C(O)c1cnc(Oc2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid?
The InChIKey is OIUXNZQXQLHYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO3/c13-10-5-7(12(16)17)6-15-11(10)18-9-3-1-8(14)2-4-9/h1-6H,(H,16,17).
What are the key properties of 5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid?
5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid has a molecular weight of 267.64 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 16784100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).