3-(difluoromethyl)-6-iodo-2-(trifluoromethyl)pyridine-4-carboxylic acid

C8H3F5INO2 — CID 133100823

IUPAC3-(difluoromethyl)-6-iodo-2-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(I)nc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H3F5INO2/c9-6(10)4-2(7(16)17)1-3(14)15-5(4)8(11,12)13/h1,6H,(H,16,17)
InChIKeyCKJQBZCLLJRVIG-UHFFFAOYSA-N
MW367.01 g/mol
LogP3.34
Rot. Bonds2

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

3-(difluoromethyl)-6-iodo-2-(trifluoromethyl)pyridine-4-carboxylic acid (PubChem CID 133100823) has the molecular formula C8H3F5INO2 and a molecular weight of 367.01 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-iodo-2-(trifluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethyl)-6-iodo-2-(trifluoromethyl)pyridine-4-carboxylic acid
PubChem CID133100823
Molecular FormulaC8H3F5INO2
Molecular Weight367.01 g/mol
Exact Mass366.91
IUPAC Name3-(difluoromethyl)-6-iodo-2-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(I)nc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H3F5INO2/c9-6(10)4-2(7(16)17)1-3(14)15-5(4)8(11,12)13/h1,6H,(H,16,17)
InChIKeyCKJQBZCLLJRVIG-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118817666
3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 133103937
3-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133100358
6-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonyl chloride
CID 133084777
3-amino-2-(difluoromethyl)-6-iodopyridine-4-carboxylic acid
CID 130105526
2-[3-(difluoromethyl)-6-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133100106
2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 119020796
3-(difluoromethyl)-2,6-diiodopyridine-4-carbonyl chloride
CID 130100732
4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118829655
6-(bromomethyl)-3-(difluoromethyl)-2-iodopyridine-4-carboxylic acid
CID 130087214
4-bromo-3-(difluoromethyl)-6-iodopyridine-2-carboxylic acid
CID 118844256
2-amino-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 119013647

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-iodo-2-(trifluoromethyl)pyridine-4-carboxylic acid?
The IUPAC name of 3-(difluoromethyl)-6-iodo-2-(trifluoromethyl)pyridine-4-carboxylic acid (CID 133100823) is 3-(difluoromethyl)-6-iodo-2-(trifluoromethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(difluoromethyl)-6-iodo-2-(trifluoromethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(difluoromethyl)-6-iodo-2-(trifluoromethyl)pyridine-4-carboxylic acid is O=C(O)c1cc(I)nc(C(F)(F)F)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-6-iodo-2-(trifluoromethyl)pyridine-4-carboxylic acid?
The InChIKey is CKJQBZCLLJRVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5INO2/c9-6(10)4-2(7(16)17)1-3(14)15-5(4)8(11,12)13/h1,6H,(H,16,17).
What are the key properties of 3-(difluoromethyl)-6-iodo-2-(trifluoromethyl)pyridine-4-carboxylic acid?
3-(difluoromethyl)-6-iodo-2-(trifluoromethyl)pyridine-4-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)-6-iodo-2-(trifluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 133100823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).