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

C8H5F3INO2 — CID 131498013

IUPAC2-[3-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nccc(C(F)(F)F)c1I
InChIInChI=1S/C8H5F3INO2/c9-8(10,11)4-1-2-13-5(7(4)12)3-6(14)15/h1-2H,3H2,(H,14,15)
InChIKeyXIKIFRDEYKUFFI-UHFFFAOYSA-N
MW331.03 g/mol
LogP2.33
Rot. Bonds2

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

2-[3-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 131498013) has the molecular formula C8H5F3INO2 and a molecular weight of 331.03 g/mol. Its IUPAC name is 2-[3-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid
PubChem CID131498013
Molecular FormulaC8H5F3INO2
Molecular Weight331.03 g/mol
Exact Mass330.93
IUPAC Name2-[3-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nccc(C(F)(F)F)c1I
InChIInChI=1S/C8H5F3INO2/c9-8(10,11)4-1-2-13-5(7(4)12)3-6(14)15/h1-2H,3H2,(H,14,15)
InChIKeyXIKIFRDEYKUFFI-UHFFFAOYSA-N
XLogP2.33
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.03
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133098315
2-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 131611741
2-[4-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118823447
2-[5-(difluoromethyl)-4-iodo-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133100098
2-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine
CID 130096758
2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid
CID 130970296
2-[5-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133098319
2-[3-(difluoromethyl)-6-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133100106
2-(3,4-dichloro-2-pyridinyl)acetic acid
CID 130838385
2-(3-sulfanyl-2-pyridinyl)acetic acid
CID 91518521
3-iodo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyridine
CID 134626969
2-[5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134683635

Frequently Asked Questions

What is the IUPAC name of 2-[3-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[3-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid (CID 131498013) is 2-[3-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid is O=C(O)Cc1nccc(C(F)(F)F)c1I.
What is the InChIKey of 2-[3-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is XIKIFRDEYKUFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3INO2/c9-8(10,11)4-1-2-13-5(7(4)12)3-6(14)15/h1-2H,3H2,(H,14,15).
What are the key properties of 2-[3-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid?
2-[3-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 331.03 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 131498013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).