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

C8H3F5INO3 — CID 134666314

IUPAC6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)nc(I)c1OC(F)(F)F
InChIInChI=1S/C8H3F5INO3/c9-5(10)3-1-2(7(16)17)4(6(14)15-3)18-8(11,12)13/h1,5H,(H,16,17)
InChIKeyJRESJYDTVMZNKT-UHFFFAOYSA-N
MW383.01 g/mol
LogP3.22
Rot. Bonds3

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

6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine-4-carboxylic acid (PubChem CID 134666314) has the molecular formula C8H3F5INO3 and a molecular weight of 383.01 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine-4-carboxylic acid
PubChem CID134666314
Molecular FormulaC8H3F5INO3
Molecular Weight383.01 g/mol
Exact Mass382.91
IUPAC Name6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)nc(I)c1OC(F)(F)F
InChIInChI=1S/C8H3F5INO3/c9-5(10)3-1-2(7(16)17)4(6(14)15-3)18-8(11,12)13/h1,5H,(H,16,17)
InChIKeyJRESJYDTVMZNKT-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid
CID 130086233
4-(bromomethyl)-6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 134660867
2-[6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670201
methyl 6-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134676531
6-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118803856
2-chloro-6-(difluoromethyl)-3-iodopyridine-4-carboxylic acid
CID 119024451
6-(difluoromethyl)-2-nitro-3-(trifluoromethoxy)pyridine-4-carbonyl chloride
CID 134670707
6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carboxylic acid
CID 133103752
6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134681331
6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid
CID 130100962
6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-carboxylic acid
CID 130087967
6-(difluoromethyl)-2,3-diiodopyridine-4-carboxamide
CID 130100741

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine-4-carboxylic acid?
The IUPAC name of 6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine-4-carboxylic acid (CID 134666314) is 6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine-4-carboxylic acid is O=C(O)c1cc(C(F)F)nc(I)c1OC(F)(F)F.
What is the InChIKey of 6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine-4-carboxylic acid?
The InChIKey is JRESJYDTVMZNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5INO3/c9-5(10)3-1-2(7(16)17)4(6(14)15-3)18-8(11,12)13/h1,5H,(H,16,17).
What are the key properties of 6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine-4-carboxylic acid?
6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine-4-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 6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 134666314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).