2-[5-chloro-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetic acid

C8H5ClF2INO2 — CID 130073451

IUPAC2-[5-chloro-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)F)c(Cl)c(I)n1
InChIInChI=1S/C8H5ClF2INO2/c9-6-4(7(10)11)1-3(2-5(14)15)13-8(6)12/h1,7H,2H2,(H,14,15)
InChIKeyHWLQTMMJQSZOCJ-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.90
Rot. Bonds3

About 2-[5-chloro-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetic acid

2-[5-chloro-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetic acid (PubChem CID 130073451) has the molecular formula C8H5ClF2INO2 and a molecular weight of 347.49 g/mol. Its IUPAC name is 2-[5-chloro-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetic acid
PubChem CID130073451
Molecular FormulaC8H5ClF2INO2
Molecular Weight347.49 g/mol
Exact Mass346.90
IUPAC Name2-[5-chloro-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)F)c(Cl)c(I)n1
InChIInChI=1S/C8H5ClF2INO2/c9-6-4(7(10)11)1-3(2-5(14)15)13-8(6)12/h1,7H,2H2,(H,14,15)
InChIKeyHWLQTMMJQSZOCJ-UHFFFAOYSA-N
XLogP2.90
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[5-chloro-4-(difluoromethyl)-6-iodo-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-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130102982
2-[6-(chloromethyl)-4-(difluoromethyl)-2-iodo-3-pyridinyl]acetic acid
CID 130087649
2-[6-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid
CID 118991959
2-[6-chloro-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 119012110
2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130095685
2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118807335
2-[5-(bromomethyl)-4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid
CID 130082063
2-[6-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid
CID 133099163
2-[4-(difluoromethyl)-5-ethyl-6-iodo-2-pyridinyl]acetate
CID 171922375
2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 119010158
2-[6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid
CID 130082399
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118852040

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-chloro-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetic acid (CID 130073451) is 2-[5-chloro-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-chloro-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-chloro-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetic acid is O=C(O)Cc1cc(C(F)F)c(Cl)c(I)n1.
What is the InChIKey of 2-[5-chloro-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetic acid?
The InChIKey is HWLQTMMJQSZOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2INO2/c9-6-4(7(10)11)1-3(2-5(14)15)13-8(6)12/h1,7H,2H2,(H,14,15).
What are the key properties of 2-[5-chloro-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetic acid?
2-[5-chloro-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetic acid has a molecular weight of 347.49 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetic acid is sourced from PubChem (CID 130073451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).