2-[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]acetic acid

C8H5F2I2NO2 — CID 130100706

IUPAC2-[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(I)c(I)nc1C(F)F
InChIInChI=1S/C8H5F2I2NO2/c9-7(10)6-3(2-5(14)15)1-4(11)8(12)13-6/h1,7H,2H2,(H,14,15)
InChIKeyAOAVRDFEYKCLBK-UHFFFAOYSA-N
MW438.94 g/mol
LogP2.86
Rot. Bonds3

About 2-[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]acetic acid

2-[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]acetic acid (PubChem CID 130100706) has the molecular formula C8H5F2I2NO2 and a molecular weight of 438.94 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]acetic acid
PubChem CID130100706
Molecular FormulaC8H5F2I2NO2
Molecular Weight438.94 g/mol
Exact Mass438.84
IUPAC Name2-[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(I)c(I)nc1C(F)F
InChIInChI=1S/C8H5F2I2NO2/c9-7(10)6-3(2-5(14)15)1-4(11)8(12)13-6/h1,7H,2H2,(H,14,15)
InChIKeyAOAVRDFEYKCLBK-UHFFFAOYSA-N
XLogP2.86
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 52.86
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'}

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Related Compounds

[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]methanamine
CID 130100564
2-[5-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetic acid
CID 130087657
2-[2-bromo-6-(difluoromethyl)-5-iodo-3-pyridinyl]acetic acid
CID 118998027
2-[6-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetic acid
CID 118820391
2-[6-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetic acid
CID 118848636
2-(difluoromethyl)-3-fluoro-5,6-diiodopyridine
CID 130100474
2-[5-bromo-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
CID 130109845
2-[6-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
CID 119004828
2-[6-(difluoromethyl)-5-iodo-3-methyl-2-pyridinyl]acetic acid
CID 130086318
2-[6-chloro-2-(difluoromethyl)-4-iodo-3-pyridinyl]acetic acid
CID 130073442
2-[6-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
CID 133101376
2-[6-(aminomethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
CID 118853815

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]acetic acid?
The IUPAC name of 2-[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]acetic acid (CID 130100706) is 2-[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]acetic acid is O=C(O)Cc1cc(I)c(I)nc1C(F)F.
What is the InChIKey of 2-[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]acetic acid?
The InChIKey is AOAVRDFEYKCLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2I2NO2/c9-7(10)6-3(2-5(14)15)1-4(11)8(12)13-6/h1,7H,2H2,(H,14,15).
What are the key properties of 2-[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]acetic acid?
2-[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]acetic acid has a molecular weight of 438.94 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]acetic acid is sourced from PubChem (CID 130100706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).