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

C8H4F4INO3 — CID 134665513

IUPAC4-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(CF)cc(OC(F)(F)F)nc1I
InChIInChI=1S/C8H4F4INO3/c9-2-3-1-4(17-8(10,11)12)14-6(13)5(3)7(15)16/h1H,2H2,(H,15,16)
InChIKeyWPTXANUAKPVUQC-UHFFFAOYSA-N
MW365.02 g/mol
LogP2.75
Rot. Bonds3

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

4-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid (PubChem CID 134665513) has the molecular formula C8H4F4INO3 and a molecular weight of 365.02 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid
PubChem CID134665513
Molecular FormulaC8H4F4INO3
Molecular Weight365.02 g/mol
Exact Mass364.92
IUPAC Name4-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(CF)cc(OC(F)(F)F)nc1I
InChIInChI=1S/C8H4F4INO3/c9-2-3-1-4(17-8(10,11)12)14-6(13)5(3)7(15)16/h1H,2H2,(H,15,16)
InChIKeyWPTXANUAKPVUQC-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118995657
2-[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134675739
2-amino-4-(aminomethyl)-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 119009677
2-[2-iodo-3-nitro-6-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134676198
4-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134679479
2-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 134666372
2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134679833
6-(bromomethyl)-2-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134667695
2-iodo-3-nitro-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134678317
2-fluoro-3-(fluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134664924
6-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134680955
ethyl 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677344

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 4-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid (CID 134665513) is 4-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid is O=C(O)c1c(CF)cc(OC(F)(F)F)nc1I.
What is the InChIKey of 4-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid?
The InChIKey is WPTXANUAKPVUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4INO3/c9-2-3-1-4(17-8(10,11)12)14-6(13)5(3)7(15)16/h1H,2H2,(H,15,16).
What are the key properties of 4-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid?
4-(fluoromethyl)-2-iodo-6-(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 4-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 134665513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).