2-[4-(difluoromethyl)-6-fluoro-5-iodo-3-pyridinyl]acetic acid

C8H5F3INO2 — CID 130080364

IUPAC2-[4-(difluoromethyl)-6-fluoro-5-iodo-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cnc(F)c(I)c1C(F)F
InChIInChI=1S/C8H5F3INO2/c9-7(10)5-3(1-4(14)15)2-13-8(11)6(5)12/h2,7H,1H2,(H,14,15)
InChIKeyYQJLIJKKZAYXPL-UHFFFAOYSA-N
MW331.03 g/mol
LogP2.39
Rot. Bonds3

About 2-[4-(difluoromethyl)-6-fluoro-5-iodo-3-pyridinyl]acetic acid

2-[4-(difluoromethyl)-6-fluoro-5-iodo-3-pyridinyl]acetic acid (PubChem CID 130080364) has the molecular formula C8H5F3INO2 and a molecular weight of 331.03 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-6-fluoro-5-iodo-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-6-fluoro-5-iodo-3-pyridinyl]acetic acid
PubChem CID130080364
Molecular FormulaC8H5F3INO2
Molecular Weight331.03 g/mol
Exact Mass330.93
IUPAC Name2-[4-(difluoromethyl)-6-fluoro-5-iodo-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cnc(F)c(I)c1C(F)F
InChIInChI=1S/C8H5F3INO2/c9-7(10)5-3(1-4(14)15)2-13-8(11)6(5)12/h2,7H,1H2,(H,14,15)
InChIKeyYQJLIJKKZAYXPL-UHFFFAOYSA-N
XLogP2.39
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.03
LogP ≤ 52.39
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-[4-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]acetic acid
CID 118839763
2-[5-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 133101298
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118800590
2-[6-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
CID 118997990
2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid
CID 133105323
2-[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]acetic acid
CID 130068471
2-[5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid
CID 130082416
2-[4-bromo-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 130068481
2-[4-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118823250
2-[5-(difluoromethyl)-4-iodo-6-nitro-3-pyridinyl]acetic acid
CID 133101070
2-[6-bromo-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetic acid
CID 119011277
4-(difluoromethyl)-2-fluoro-3-iodo-5-methylpyridine
CID 118840077

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-6-fluoro-5-iodo-3-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(difluoromethyl)-6-fluoro-5-iodo-3-pyridinyl]acetic acid (CID 130080364) is 2-[4-(difluoromethyl)-6-fluoro-5-iodo-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)-6-fluoro-5-iodo-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(difluoromethyl)-6-fluoro-5-iodo-3-pyridinyl]acetic acid is O=C(O)Cc1cnc(F)c(I)c1C(F)F.
What is the InChIKey of 2-[4-(difluoromethyl)-6-fluoro-5-iodo-3-pyridinyl]acetic acid?
The InChIKey is YQJLIJKKZAYXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3INO2/c9-7(10)5-3(1-4(14)15)2-13-8(11)6(5)12/h2,7H,1H2,(H,14,15).
What are the key properties of 2-[4-(difluoromethyl)-6-fluoro-5-iodo-3-pyridinyl]acetic acid?
2-[4-(difluoromethyl)-6-fluoro-5-iodo-3-pyridinyl]acetic acid has a molecular weight of 331.03 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-6-fluoro-5-iodo-3-pyridinyl]acetic acid is sourced from PubChem (CID 130080364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).