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

C8H3F5INO3 — CID 118828504

IUPAC4-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(OC(F)(F)F)c(C(F)F)c1I
InChIInChI=1S/C8H3F5INO3/c9-6(10)3-2(18-8(11,12)13)1-15-5(4(3)14)7(16)17/h1,6H,(H,16,17)
InChIKeyPIMQMIPWBNCFOD-UHFFFAOYSA-N
MW383.01 g/mol
LogP3.22
Rot. Bonds3

About 4-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-2-carboxylic acid

4-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-2-carboxylic acid (PubChem CID 118828504) has the molecular formula C8H3F5INO3 and a molecular weight of 383.01 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-2-carboxylic acid
PubChem CID118828504
Molecular FormulaC8H3F5INO3
Molecular Weight383.01 g/mol
Exact Mass382.91
IUPAC Name4-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(OC(F)(F)F)c(C(F)F)c1I
InChIInChI=1S/C8H3F5INO3/c9-6(10)3-2(18-8(11,12)13)1-15-5(4(3)14)7(16)17/h1,6H,(H,16,17)
InChIKeyPIMQMIPWBNCFOD-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

4-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118805459
3-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134672974
4-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118824021
3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134678961
3-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134665599
4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxamide
CID 118835097
2-cyano-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 119017878
5-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134670456
4-amino-3-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118811808
5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134677793
2-[2-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118832558
4-fluoro-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118799511

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-2-carboxylic acid (CID 118828504) is 4-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-2-carboxylic acid is O=C(O)c1ncc(OC(F)(F)F)c(C(F)F)c1I.
What is the InChIKey of 4-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
The InChIKey is PIMQMIPWBNCFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5INO3/c9-6(10)3-2(18-8(11,12)13)1-15-5(4(3)14)7(16)17/h1,6H,(H,16,17).
What are the key properties of 4-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
4-(difluoromethyl)-3-iodo-5-(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 4-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 118828504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).