2-chloro-6-(2-iodophenoxy)pyridine-4-carboxylic acid

C12H7ClINO3 — CID 43479681

IUPAC2-chloro-6-(2-iodophenoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(Oc2ccccc2I)c1
InChIInChI=1S/C12H7ClINO3/c13-10-5-7(12(16)17)6-11(15-10)18-9-4-2-1-3-8(9)14/h1-6H,(H,16,17)
InChIKeySEEJKCNNUGUVDX-UHFFFAOYSA-N
MW375.55 g/mol
LogP3.83
Rot. Bonds3

About 2-chloro-6-(2-iodophenoxy)pyridine-4-carboxylic acid

2-chloro-6-(2-iodophenoxy)pyridine-4-carboxylic acid (PubChem CID 43479681) has the molecular formula C12H7ClINO3 and a molecular weight of 375.55 g/mol. Its IUPAC name is 2-chloro-6-(2-iodophenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(2-iodophenoxy)pyridine-4-carboxylic acid
PubChem CID43479681
Molecular FormulaC12H7ClINO3
Molecular Weight375.55 g/mol
Exact Mass374.92
IUPAC Name2-chloro-6-(2-iodophenoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(Oc2ccccc2I)c1
InChIInChI=1S/C12H7ClINO3/c13-10-5-7(12(16)17)6-11(15-10)18-9-4-2-1-3-8(9)14/h1-6H,(H,16,17)
InChIKeySEEJKCNNUGUVDX-UHFFFAOYSA-N
XLogP3.83
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.55
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 3-[(6-chloro-2-pyridinyl)oxy]benzenecarboxylate
CID 3784687
2-chloro-6-(2,2,2-trifluoroethoxy)pyridine-4-carboxylic Acid
CID 2727198
2-Chloro-6-methoxypyridine-4-carboxylic acid
CID 2782124
Methyl 2-chloro-6-methoxyisonicotinate
CID 13339618
2-Phenoxypyridine-4-carboxylic acid
CID 21494431
2-Chloro-6-(4-chlorophenoxy)pyridine-4-carboxylic acid
CID 43343464
3-((5-Chloropyridin-2-yl)oxy)benzoic acid
CID 61395583
3-[(6-Chloro-2-pyridinyl)oxy]benzenecarboxylic acid
CID 3827251
2-(2-Fluorophenoxy)pyridine-4-carboxylic acid
CID 28375592
2-Chloro-6-(difluoromethoxy)pyridine-4-carboxylic acid
CID 46311542
2-Chloro-6-(trifluoromethoxy)isonicotinic acid
CID 49871102
6-Chloro-2-(2-fluorophenoxy)pyridine-3-carboxylic acid
CID 55185255

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-iodophenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(2-iodophenoxy)pyridine-4-carboxylic acid (CID 43479681) is 2-chloro-6-(2-iodophenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(2-iodophenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(2-iodophenoxy)pyridine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(Oc2ccccc2I)c1.
What is the InChIKey of 2-chloro-6-(2-iodophenoxy)pyridine-4-carboxylic acid?
The InChIKey is SEEJKCNNUGUVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClINO3/c13-10-5-7(12(16)17)6-11(15-10)18-9-4-2-1-3-8(9)14/h1-6H,(H,16,17).
What are the key properties of 2-chloro-6-(2-iodophenoxy)pyridine-4-carboxylic acid?
2-chloro-6-(2-iodophenoxy)pyridine-4-carboxylic acid has a molecular weight of 375.55 g/mol, XLogP of 3.83, 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-iodophenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 43479681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).