2-[2-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-3-pyridinyl]acetic acid

C9H5F5INO2 — CID 118831820

IUPAC2-[2-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(C(F)F)ncc(I)c1C(F)(F)F
InChIInChI=1S/C9H5F5INO2/c10-8(11)7-3(1-5(17)18)6(9(12,13)14)4(15)2-16-7/h2,8H,1H2,(H,17,18)
InChIKeyHEYMPNKZHUPDAT-UHFFFAOYSA-N
MW381.04 g/mol
LogP3.27
Rot. Bonds3

About 2-[2-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-3-pyridinyl]acetic acid

2-[2-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-3-pyridinyl]acetic acid (PubChem CID 118831820) has the molecular formula C9H5F5INO2 and a molecular weight of 381.04 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-3-pyridinyl]acetic acid
PubChem CID118831820
Molecular FormulaC9H5F5INO2
Molecular Weight381.04 g/mol
Exact Mass380.93
IUPAC Name2-[2-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(C(F)F)ncc(I)c1C(F)(F)F
InChIInChI=1S/C9H5F5INO2/c10-8(11)7-3(1-5(17)18)6(9(12,13)14)4(15)2-16-7/h2,8H,1H2,(H,17,18)
InChIKeyHEYMPNKZHUPDAT-UHFFFAOYSA-N
XLogP3.27
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.04
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[2-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-3-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-[3-bromo-2-(difluoromethyl)-5-iodo-4-pyridinyl]acetic acid
CID 130068464
2-[2-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118854183
2-[5-amino-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134671566
2-[5-bromo-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134676275
2-[5-bromo-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
CID 130068482
2-[2-(difluoromethyl)-3-hydroxy-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118809162
2-[5-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
CID 133101306
2-[5-(difluoromethyl)-4-iodo-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133100098
3-(chloromethyl)-2-(difluoromethyl)-5-iodopyridine-4-carboxylic acid
CID 130087556
2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetic acid
CID 118829164
2-[3-(chloromethyl)-2-(difluoromethyl)-5-fluoro-4-pyridinyl]acetic acid
CID 130082407
2-[5-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130070464

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[2-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-3-pyridinyl]acetic acid (CID 118831820) is 2-[2-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-3-pyridinyl]acetic acid is O=C(O)Cc1c(C(F)F)ncc(I)c1C(F)(F)F.
What is the InChIKey of 2-[2-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-3-pyridinyl]acetic acid?
The InChIKey is HEYMPNKZHUPDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5INO2/c10-8(11)7-3(1-5(17)18)6(9(12,13)14)4(15)2-16-7/h2,8H,1H2,(H,17,18).
What are the key properties of 2-[2-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-3-pyridinyl]acetic acid?
2-[2-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-3-pyridinyl]acetic acid has a molecular weight of 381.04 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 118831820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).