6-chloro-2-(2-fluorophenoxy)pyridine-3-carboxylic acid

C12H7ClFNO3 — CID 55185255

IUPAC6-chloro-2-(2-fluorophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1Oc1ccccc1F
InChIInChI=1S/C12H7ClFNO3/c13-10-6-5-7(12(16)17)11(15-10)18-9-4-2-1-3-8(9)14/h1-6H,(H,16,17)
InChIKeyWVEZCBCEPUXYAO-UHFFFAOYSA-N
MW267.64 g/mol
LogP3.36
Rot. Bonds3

About 6-chloro-2-(2-fluorophenoxy)pyridine-3-carboxylic acid

6-chloro-2-(2-fluorophenoxy)pyridine-3-carboxylic acid (PubChem CID 55185255) has the molecular formula C12H7ClFNO3 and a molecular weight of 267.64 g/mol. Its IUPAC name is 6-chloro-2-(2-fluorophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(2-fluorophenoxy)pyridine-3-carboxylic acid
PubChem CID55185255
Molecular FormulaC12H7ClFNO3
Molecular Weight267.64 g/mol
Exact Mass267.01
IUPAC Name6-chloro-2-(2-fluorophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1Oc1ccccc1F
InChIInChI=1S/C12H7ClFNO3/c13-10-6-5-7(12(16)17)11(15-10)18-9-4-2-1-3-8(9)14/h1-6H,(H,16,17)
InChIKeyWVEZCBCEPUXYAO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromophenoxy)-6-chloropyridine-3-carboxylic acid
CID 63376743
6-chloro-2-phenoxypyridine-3-carboxylic acid
CID 63376812
2-(2-acetamidophenoxy)-6-chloropyridine-3-carboxylic acid
CID 63377003
6-chloro-2-(2-propoxyphenoxy)pyridine-3-carboxylic acid
CID 63376427
6-chloro-2-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid
CID 63376846
6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 63376924
6-chloro-2-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
CID 55183255
6-chloro-2-(3,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 63376771
2-(4-bromo-2-chlorophenoxy)-6-chloropyridine-3-carboxylic acid
CID 63376889
4-(2-fluorophenoxy)-2-methylsulfonylpyrimidine-5-carboxylic acid
CID 22674281
6-chloro-2-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid
CID 63376747
6-chloro-2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 63376629

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-fluorophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(2-fluorophenoxy)pyridine-3-carboxylic acid (CID 55185255) is 6-chloro-2-(2-fluorophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(2-fluorophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(2-fluorophenoxy)pyridine-3-carboxylic acid is O=C(O)c1ccc(Cl)nc1Oc1ccccc1F.
What is the InChIKey of 6-chloro-2-(2-fluorophenoxy)pyridine-3-carboxylic acid?
The InChIKey is WVEZCBCEPUXYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO3/c13-10-6-5-7(12(16)17)11(15-10)18-9-4-2-1-3-8(9)14/h1-6H,(H,16,17).
What are the key properties of 6-chloro-2-(2-fluorophenoxy)pyridine-3-carboxylic acid?
6-chloro-2-(2-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 6-chloro-2-(2-fluorophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 55185255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).