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

C8H5F3INO4 — CID 134680320

IUPAC2-[5-hydroxy-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(OC(F)(F)F)c(O)cc1I
InChIInChI=1S/C8H5F3INO4/c9-8(10,11)17-7-5(14)1-3(12)4(13-7)2-6(15)16/h1,14H,2H2,(H,15,16)
InChIKeyGYYXHPRKMBVZIM-UHFFFAOYSA-N
MW363.03 g/mol
LogP1.92
Rot. Bonds3

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

2-[5-hydroxy-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid (PubChem CID 134680320) has the molecular formula C8H5F3INO4 and a molecular weight of 363.03 g/mol. Its IUPAC name is 2-[5-hydroxy-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-hydroxy-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
PubChem CID134680320
Molecular FormulaC8H5F3INO4
Molecular Weight363.03 g/mol
Exact Mass362.92
IUPAC Name2-[5-hydroxy-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(OC(F)(F)F)c(O)cc1I
InChIInChI=1S/C8H5F3INO4/c9-8(10,11)17-7-5(14)1-3(12)4(13-7)2-6(15)16/h1,14H,2H2,(H,15,16)
InChIKeyGYYXHPRKMBVZIM-UHFFFAOYSA-N
XLogP1.92
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.03
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-5-iodo-2-(trifluoromethoxy)pyridin-3-ol
CID 130909745
2-[6-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetic acid
CID 118820391
2-[6-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134659895
6-(aminomethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-3-ol
CID 134680204
5-(chloromethyl)-6-iodo-2-(trifluoromethoxy)pyridin-3-ol
CID 130111282
2-[6-(bromomethyl)-5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118855097
ethyl 2-[3-iodo-5-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134665864
2-[5-methoxy-6-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134679126
[6-(fluoromethyl)-5-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118803901
2-[6-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134679267
2-[4-(fluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118840435
2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134679833

Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxy-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-hydroxy-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid (CID 134680320) is 2-[5-hydroxy-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-hydroxy-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-hydroxy-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid is O=C(O)Cc1nc(OC(F)(F)F)c(O)cc1I.
What is the InChIKey of 2-[5-hydroxy-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The InChIKey is GYYXHPRKMBVZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3INO4/c9-8(10,11)17-7-5(14)1-3(12)4(13-7)2-6(15)16/h1,14H,2H2,(H,15,16).
What are the key properties of 2-[5-hydroxy-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid?
2-[5-hydroxy-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid has a molecular weight of 363.03 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxy-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid is sourced from PubChem (CID 134680320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).