2-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylic acid

C7H3F3INO2 — CID 118837565

IUPAC2-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)c(I)nc1C(F)F
InChIInChI=1S/C7H3F3INO2/c8-3-1-2(7(13)14)4(5(9)10)12-6(3)11/h1,5H,(H,13,14)
InChIKeyVYVACGYQAOVIHH-UHFFFAOYSA-N
MW317.00 g/mol
LogP2.46
Rot. Bonds2

About 2-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylic acid

2-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylic acid (PubChem CID 118837565) has the molecular formula C7H3F3INO2 and a molecular weight of 317.00 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylic acid
PubChem CID118837565
Molecular FormulaC7H3F3INO2
Molecular Weight317.00 g/mol
Exact Mass316.92
IUPAC Name2-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)c(I)nc1C(F)F
InChIInChI=1S/C7H3F3INO2/c8-3-1-2(7(13)14)4(5(9)10)12-6(3)11/h1,5H,(H,13,14)
InChIKeyVYVACGYQAOVIHH-UHFFFAOYSA-N
XLogP2.46
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.00
LogP ≤ 52.46
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

2-bromo-5-fluoro-6-iodopyridine-3-carboxylic acid
CID 168955979
6-(difluoromethyl)-2-iodo-5-methylpyridine-3-carboxylic acid
CID 118815145
6-chloro-2-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 119006565
3-(difluoromethyl)-5-fluoro-6-iodopyridine-2-carboxylic acid
CID 130080267
6-(difluoromethyl)-2-fluoro-5-iodopyridine-3-carboxylic acid
CID 118831957
3-amino-2-(difluoromethyl)-6-iodopyridine-4-carboxylic acid
CID 130105526
2-(difluoromethyl)-5-fluoro-6-iodo-3-methylpyridine
CID 130079892
2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
CID 130081939
5-(bromomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 130081975
2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118815134
ethyl 6-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carboxylate
CID 133106006
6-amino-2-(difluoromethyl)-3-iodopyridine-4-carboxylic acid
CID 130105521

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylic acid (CID 118837565) is 2-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylic acid is O=C(O)c1cc(F)c(I)nc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylic acid?
The InChIKey is VYVACGYQAOVIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3INO2/c8-3-1-2(7(13)14)4(5(9)10)12-6(3)11/h1,5H,(H,13,14).
What are the key properties of 2-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylic acid?
2-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylic acid has a molecular weight of 317.00 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylic acid is sourced from PubChem (CID 118837565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).