2-[6-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetic acid

C8H6F2INO3 — CID 118820391

IUPAC2-[6-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(C(F)F)c(O)cc1I
InChIInChI=1S/C8H6F2INO3/c9-8(10)7-5(13)1-3(11)4(12-7)2-6(14)15/h1,8,13H,2H2,(H,14,15)
InChIKeyGGLOTDLEERYDNA-UHFFFAOYSA-N
MW329.04 g/mol
LogP1.96
Rot. Bonds3

About 2-[6-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetic acid

2-[6-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetic acid (PubChem CID 118820391) has the molecular formula C8H6F2INO3 and a molecular weight of 329.04 g/mol. Its IUPAC name is 2-[6-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetic acid
PubChem CID118820391
Molecular FormulaC8H6F2INO3
Molecular Weight329.04 g/mol
Exact Mass328.94
IUPAC Name2-[6-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(C(F)F)c(O)cc1I
InChIInChI=1S/C8H6F2INO3/c9-8(10)7-5(13)1-3(11)4(12-7)2-6(14)15/h1,8,13H,2H2,(H,14,15)
InChIKeyGGLOTDLEERYDNA-UHFFFAOYSA-N
XLogP1.96
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.04
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-amino-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 133093449
2-[6-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetic acid
CID 118848636
6-(aminomethyl)-2-(difluoromethyl)-5-iodopyridin-3-ol
CID 118848322
2-[3-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 130085033
2-[5-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetic acid
CID 130087657
2-[6-(difluoromethyl)-5-iodo-3-methyl-2-pyridinyl]acetic acid
CID 130086318
2-[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]acetic acid
CID 130100706
2-[5-hydroxy-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134680320
2-[2-bromo-6-(difluoromethyl)-5-iodo-3-pyridinyl]acetic acid
CID 118998027
2-[5-(difluoromethyl)-3-iodo-6-nitro-2-pyridinyl]acetic acid
CID 133100937
2-[5-amino-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid
CID 134671249
2-[3-bromo-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetic acid
CID 130109842

Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetic acid (CID 118820391) is 2-[6-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetic acid is O=C(O)Cc1nc(C(F)F)c(O)cc1I.
What is the InChIKey of 2-[6-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetic acid?
The InChIKey is GGLOTDLEERYDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2INO3/c9-8(10)7-5(13)1-3(11)4(12-7)2-6(14)15/h1,8,13H,2H2,(H,14,15).
What are the key properties of 2-[6-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetic acid?
2-[6-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetic acid has a molecular weight of 329.04 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetic acid is sourced from PubChem (CID 118820391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).