2-(4-iodophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid

C13H7F3INO3 — CID 79873647

IUPAC2-(4-iodophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(F)(F)F)nc1Oc1ccc(I)cc1
InChIInChI=1S/C13H7F3INO3/c14-13(15,16)10-6-5-9(12(19)20)11(18-10)21-8-3-1-7(17)2-4-8/h1-6H,(H,19,20)
InChIKeyYXFAHFBVCLBTDB-UHFFFAOYSA-N
MW409.10 g/mol
LogP4.20
Rot. Bonds3

About 2-(4-iodophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-(4-iodophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 79873647) has the molecular formula C13H7F3INO3 and a molecular weight of 409.10 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-iodophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID79873647
Molecular FormulaC13H7F3INO3
Molecular Weight409.10 g/mol
Exact Mass408.94
IUPAC Name2-(4-iodophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(F)(F)F)nc1Oc1ccc(I)cc1
InChIInChI=1S/C13H7F3INO3/c14-13(15,16)10-6-5-9(12(19)20)11(18-10)21-8-3-1-7(17)2-4-8/h1-6H,(H,19,20)
InChIKeyYXFAHFBVCLBTDB-UHFFFAOYSA-N
XLogP4.20
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.10
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876585
2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877639
6-chloro-2-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 63376513
2-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 81342167
N'-hydroxy-2-phenoxy-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79874596
2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 97035085
2-(4-iodophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702932
3-[2-(4-fluorophenoxy)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid
CID 68782881
2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;nitrous acid
CID 174707233
6-chloro-2-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 63376748
2-(1-methylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridine-3-carboxamide
CID 116792710
2-hydroxy-4-(4-iodophenoxy)benzoic acid
CID 164953547

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-iodophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 79873647) is 2-(4-iodophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-iodophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-iodophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(C(F)(F)F)nc1Oc1ccc(I)cc1.
What is the InChIKey of 2-(4-iodophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is YXFAHFBVCLBTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3INO3/c14-13(15,16)10-6-5-9(12(19)20)11(18-10)21-8-3-1-7(17)2-4-8/h1-6H,(H,19,20).
What are the key properties of 2-(4-iodophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(4-iodophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 409.10 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 79873647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).