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

C8H4F4INO3 — CID 118849000

IUPAC2-(fluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(CF)ncc(I)c1OC(F)(F)F
InChIInChI=1S/C8H4F4INO3/c9-1-4-5(7(15)16)6(3(13)2-14-4)17-8(10,11)12/h2H,1H2,(H,15,16)
InChIKeyYHLSMJYKCRDWPU-UHFFFAOYSA-N
MW365.02 g/mol
LogP2.75
Rot. Bonds3

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

2-(fluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid (PubChem CID 118849000) has the molecular formula C8H4F4INO3 and a molecular weight of 365.02 g/mol. Its IUPAC name is 2-(fluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(fluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid
PubChem CID118849000
Molecular FormulaC8H4F4INO3
Molecular Weight365.02 g/mol
Exact Mass364.92
IUPAC Name2-(fluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(CF)ncc(I)c1OC(F)(F)F
InChIInChI=1S/C8H4F4INO3/c9-1-4-5(7(15)16)6(3(13)2-14-4)17-8(10,11)12/h2H,1H2,(H,15,16)
InChIKeyYHLSMJYKCRDWPU-UHFFFAOYSA-N
XLogP2.75
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.02
LogP ≤ 52.75
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

2-(difluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118826106
2-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118995657
2-(bromomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118804455
5-iodo-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 134669439
5-(fluoromethyl)-4-iodo-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134667317
2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118848308
ethyl 2-[3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134666934
methyl 2-(chloromethyl)-5-iodo-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134660298
2-[2-(fluoromethyl)-5-hydroxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134681335
2-[2-(fluoromethyl)-5-hydroxy-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118848779
[5-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134680899
2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118827001

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 2-(fluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid (CID 118849000) is 2-(fluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(fluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(fluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid is O=C(O)c1c(CF)ncc(I)c1OC(F)(F)F.
What is the InChIKey of 2-(fluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid?
The InChIKey is YHLSMJYKCRDWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4INO3/c9-1-4-5(7(15)16)6(3(13)2-14-4)17-8(10,11)12/h2H,1H2,(H,15,16).
What are the key properties of 2-(fluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid?
2-(fluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid has a molecular weight of 365.02 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 118849000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).