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

C8H3F5INO2 — CID 133100358

IUPAC3-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(C(F)(F)F)c(I)cc1C(F)F
InChIInChI=1S/C8H3F5INO2/c9-6(10)2-1-3(14)5(8(11,12)13)15-4(2)7(16)17/h1,6H,(H,16,17)
InChIKeyDPMLODJOSPQCJY-UHFFFAOYSA-N
MW367.01 g/mol
LogP3.34
Rot. Bonds2

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

3-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 133100358) has the molecular formula C8H3F5INO2 and a molecular weight of 367.01 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID133100358
Molecular FormulaC8H3F5INO2
Molecular Weight367.01 g/mol
Exact Mass366.91
IUPAC Name3-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(C(F)(F)F)c(I)cc1C(F)F
InChIInChI=1S/C8H3F5INO2/c9-6(10)2-1-3(14)5(8(11,12)13)15-4(2)7(16)17/h1,6H,(H,16,17)
InChIKeyDPMLODJOSPQCJY-UHFFFAOYSA-N
XLogP3.34
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.01
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylic acid
CID 118826934
3-(difluoromethyl)-5-fluoro-6-iodopyridine-2-carboxylic acid
CID 130080267
5-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134681405
6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 119023037
3-(difluoromethyl)-6-iodo-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 133100823
3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 130098534
5-amino-3-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
CID 130104260
5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134675155
4-(difluoromethyl)-6-methyl-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118840954
ethyl 2-[5-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 133100169
methyl 5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134674308
5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 130851869

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid (CID 133100358) is 3-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid is O=C(O)c1nc(C(F)(F)F)c(I)cc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is DPMLODJOSPQCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5INO2/c9-6(10)2-1-3(14)5(8(11,12)13)15-4(2)7(16)17/h1,6H,(H,16,17).
What are the key properties of 3-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid?
3-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 367.01 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 133100358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).