2-chloro-6-(2,5-difluorophenoxy)pyridine-4-carboxylic acid

C12H6ClF2NO3 — CID 63269240

IUPAC2-chloro-6-(2,5-difluorophenoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(Oc2cc(F)ccc2F)c1
InChIInChI=1S/C12H6ClF2NO3/c13-10-3-6(12(17)18)4-11(16-10)19-9-5-7(14)1-2-8(9)15/h1-5H,(H,17,18)
InChIKeyAHHHGBVZSFTMGS-UHFFFAOYSA-N
MW285.63 g/mol
LogP3.50
Rot. Bonds3

About 2-chloro-6-(2,5-difluorophenoxy)pyridine-4-carboxylic acid

2-chloro-6-(2,5-difluorophenoxy)pyridine-4-carboxylic acid (PubChem CID 63269240) has the molecular formula C12H6ClF2NO3 and a molecular weight of 285.63 g/mol. Its IUPAC name is 2-chloro-6-(2,5-difluorophenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(2,5-difluorophenoxy)pyridine-4-carboxylic acid
PubChem CID63269240
Molecular FormulaC12H6ClF2NO3
Molecular Weight285.63 g/mol
Exact Mass285.00
IUPAC Name2-chloro-6-(2,5-difluorophenoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(Oc2cc(F)ccc2F)c1
InChIInChI=1S/C12H6ClF2NO3/c13-10-3-6(12(17)18)4-11(16-10)19-9-5-7(14)1-2-8(9)15/h1-5H,(H,17,18)
InChIKeyAHHHGBVZSFTMGS-UHFFFAOYSA-N
XLogP3.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.63
LogP ≤ 53.50
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-chloro-6-(2-iodophenoxy)pyridine-4-carboxylic acid
CID 43479681
2-(2-chloro-5-fluorophenoxy)-6-methylpyridine-4-carboxylic acid
CID 114264226
4-chloro-2-cyclopropyl-6-(2,5-difluorophenoxy)pyrimidine
CID 80948580
2-(2-bromo-4-methylphenoxy)-6-chloropyridine-4-carboxylic acid
CID 43343579
2-chloro-6-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 61031154
2-chloro-6-[(2-fluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 63932215
2-chloro-6-methoxypyridine-4-carboxylic acid;ethane
CID 143103207
2-chloro-6-(4-chloro-3,5-dimethylphenoxy)pyridine-4-carboxylic acid
CID 43369927
2-chloro-6-(4-fluoro-3-methoxyanilino)pyridine-4-carboxylic acid
CID 114840067
5-amino-3-chloro-2-(2,5-difluorophenoxy)benzoic acid
CID 107197867
2,6-dichloropyridine-4-carboxylic acid;iron
CID 174504494
2-chloro-6-(3-ethylphenoxy)pyridine-4-carboxylic acid
CID 43166912

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,5-difluorophenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(2,5-difluorophenoxy)pyridine-4-carboxylic acid (CID 63269240) is 2-chloro-6-(2,5-difluorophenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(2,5-difluorophenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(2,5-difluorophenoxy)pyridine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(Oc2cc(F)ccc2F)c1.
What is the InChIKey of 2-chloro-6-(2,5-difluorophenoxy)pyridine-4-carboxylic acid?
The InChIKey is AHHHGBVZSFTMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2NO3/c13-10-3-6(12(17)18)4-11(16-10)19-9-5-7(14)1-2-8(9)15/h1-5H,(H,17,18).
What are the key properties of 2-chloro-6-(2,5-difluorophenoxy)pyridine-4-carboxylic acid?
2-chloro-6-(2,5-difluorophenoxy)pyridine-4-carboxylic acid has a molecular weight of 285.63 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,5-difluorophenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 63269240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).