5-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylic acid

C8H3F5INO3 — CID 134681405

IUPAC5-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(OC(F)(F)F)c(C(F)F)cc1I
InChIInChI=1S/C8H3F5INO3/c9-5(10)2-1-3(14)4(7(16)17)15-6(2)18-8(11,12)13/h1,5H,(H,16,17)
InChIKeyZAGJKKQDDNIJCL-UHFFFAOYSA-N
MW383.01 g/mol
LogP3.22
Rot. Bonds3

About 5-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylic acid

5-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylic acid (PubChem CID 134681405) has the molecular formula C8H3F5INO3 and a molecular weight of 383.01 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylic acid
PubChem CID134681405
Molecular FormulaC8H3F5INO3
Molecular Weight383.01 g/mol
Exact Mass382.91
IUPAC Name5-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(OC(F)(F)F)c(C(F)F)cc1I
InChIInChI=1S/C8H3F5INO3/c9-5(10)2-1-3(14)4(7(16)17)15-6(2)18-8(11,12)13/h1,5H,(H,16,17)
InChIKeyZAGJKKQDDNIJCL-UHFFFAOYSA-N
XLogP3.22
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.01
LogP ≤ 53.22
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

5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134662164
6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 119023037
[5-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134662929
3-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133100358
5-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134679457
6-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118992472
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 130073352
3-iodo-6-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134664731
6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134661368
6-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134672327
[4-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118829537
6-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118814679

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylic acid (CID 134681405) is 5-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylic acid is O=C(O)c1nc(OC(F)(F)F)c(C(F)F)cc1I.
What is the InChIKey of 5-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylic acid?
The InChIKey is ZAGJKKQDDNIJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5INO3/c9-5(10)2-1-3(14)4(7(16)17)15-6(2)18-8(11,12)13/h1,5H,(H,16,17).
What are the key properties of 5-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylic acid?
5-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylic acid has a molecular weight of 383.01 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 134681405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).