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

C12H7ClFNO3 — CID 113469493

IUPAC5-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(Oc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C12H7ClFNO3/c13-10-2-1-8(4-11(10)14)18-9-3-7(12(16)17)5-15-6-9/h1-6H,(H,16,17)
InChIKeyDTRBZFAPFFRKPY-UHFFFAOYSA-N
MW267.64 g/mol
LogP3.36
Rot. Bonds3

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

5-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid (PubChem CID 113469493) has the molecular formula C12H7ClFNO3 and a molecular weight of 267.64 g/mol. Its IUPAC name is 5-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid
PubChem CID113469493
Molecular FormulaC12H7ClFNO3
Molecular Weight267.64 g/mol
Exact Mass267.01
IUPAC Name5-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(Oc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C12H7ClFNO3/c13-10-2-1-8(4-11(10)14)18-9-3-7(12(16)17)5-15-6-9/h1-6H,(H,16,17)
InChIKeyDTRBZFAPFFRKPY-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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Related Compounds

5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 82716669
2-chloro-4-(4-chloro-3-fluorophenoxy)benzoic acid
CID 82726948
4-(4-chloro-3-fluorophenoxy)pyrimidine-5-carboxylic acid
CID 114213929
5-(4-sulfamoylphenoxy)pyridine-3-carboxylic acid
CID 63852234
5-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid
CID 113469480
5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid
CID 114916977
5-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 63850017
5-[3-(4-chlorophenoxy)propoxy]pyridine-3-carboxylic acid
CID 63852389
1-[5-(4-chloro-3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 113469619
4-chloro-3-fluorobenzoic acid
CID 2736536
5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid
CID 107168816
5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid
CID 114272248

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid (CID 113469493) is 5-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid is O=C(O)c1cncc(Oc2ccc(Cl)c(F)c2)c1.
What is the InChIKey of 5-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid?
The InChIKey is DTRBZFAPFFRKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO3/c13-10-2-1-8(4-11(10)14)18-9-3-7(12(16)17)5-15-6-9/h1-6H,(H,16,17).
What are the key properties of 5-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid?
5-(4-chloro-3-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-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 113469493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).