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

C8H2F6INO3 — CID 134666372

IUPAC2-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(OC(F)(F)F)cc(C(F)(F)F)nc1I
InChIInChI=1S/C8H2F6INO3/c9-7(10,11)3-1-2(19-8(12,13)14)4(6(17)18)5(15)16-3/h1H,(H,17,18)
InChIKeyPHCFMRLAPXGMOP-UHFFFAOYSA-N
MW401.00 g/mol
LogP3.30
Rot. Bonds2

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

2-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 134666372) has the molecular formula C8H2F6INO3 and a molecular weight of 401.00 g/mol. Its IUPAC name is 2-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID134666372
Molecular FormulaC8H2F6INO3
Molecular Weight401.00 g/mol
Exact Mass400.90
IUPAC Name2-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(OC(F)(F)F)cc(C(F)(F)F)nc1I
InChIInChI=1S/C8H2F6INO3/c9-7(10,11)3-1-2(19-8(12,13)14)4(6(17)18)5(15)16-3/h1H,(H,17,18)
InChIKeyPHCFMRLAPXGMOP-UHFFFAOYSA-N
XLogP3.30
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.00
LogP ≤ 53.30
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-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic 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

6-(bromomethyl)-2-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134667695
4-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134665513
6-(chloromethyl)-2-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118826840
2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 130113015
2-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118995657
6-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134680955
2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134681322
2-[6-iodo-2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134667065
4-bromo-2-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 118822750
2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118836960
methyl 2-[3-hydroxy-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 134666003
2-[2-iodo-6-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134661419

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 134666372) is 2-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1c(OC(F)(F)F)cc(C(F)(F)F)nc1I.
What is the InChIKey of 2-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is PHCFMRLAPXGMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F6INO3/c9-7(10,11)3-1-2(19-8(12,13)14)4(6(17)18)5(15)16-3/h1H,(H,17,18).
What are the key properties of 2-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 401.00 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 134666372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).