2-[6-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid

C9H4F6INO3 — CID 134679267

IUPAC2-[6-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(I)cc(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H4F6INO3/c10-8(11,12)7-3(1-6(18)19)17-5(16)2-4(7)20-9(13,14)15/h2H,1H2,(H,18,19)
InChIKeyZFRYEMIAQXUGCL-UHFFFAOYSA-N
MW415.03 g/mol
LogP3.23
Rot. Bonds3

About 2-[6-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid

2-[6-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 134679267) has the molecular formula C9H4F6INO3 and a molecular weight of 415.03 g/mol. Its IUPAC name is 2-[6-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
PubChem CID134679267
Molecular FormulaC9H4F6INO3
Molecular Weight415.03 g/mol
Exact Mass414.91
IUPAC Name2-[6-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(I)cc(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H4F6INO3/c10-8(11,12)7-3(1-6(18)19)17-5(16)2-4(7)20-9(13,14)15/h2H,1H2,(H,18,19)
InChIKeyZFRYEMIAQXUGCL-UHFFFAOYSA-N
XLogP3.23
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.03
LogP ≤ 53.23
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'}

Analyze 2-[6-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134669973
2-[6-iodo-3-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134660035
2-[2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 118826870
methyl 2-[2-(fluoromethyl)-6-iodo-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134665564
2-[3-hydroxy-5-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134678704
2-[4-fluoro-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118839013
2-[2-iodo-6-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134661419
6-iodo-2-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 129319241
2-[5-hydroxy-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134680320
2-[6-methoxy-3-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134667952
2-[5-(chloromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134668050
2-[6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670201

Frequently Asked Questions

What is the IUPAC name of 2-[6-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid (CID 134679267) is 2-[6-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid is O=C(O)Cc1nc(I)cc(OC(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 2-[6-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is ZFRYEMIAQXUGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F6INO3/c10-8(11,12)7-3(1-6(18)19)17-5(16)2-4(7)20-9(13,14)15/h2H,1H2,(H,18,19).
What are the key properties of 2-[6-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid?
2-[6-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 415.03 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 134679267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).