2-fluoro-4-iodopyridine-3-carbaldehyde;2,2,2-trifluoro-1-(2-fluoro-4-iodo-3-pyridinyl)ethanol

C13H7F5I2N2O2 — CID 161496185

IUPAC2-fluoro-4-iodopyridine-3-carbaldehyde;2,2,2-trifluoro-1-(2-fluoro-4-iodo-3-pyridinyl)ethanol
SMILESO=Cc1c(I)ccnc1F.OC(c1c(I)ccnc1F)C(F)(F)F
InChIInChI=1S/C7H4F4INO.C6H3FINO/c8-6-4(3(12)1-2-13-6)5(14)7(9,10)11;7-6-4(3-10)5(8)1-2-9-6/h1-2,5,14H;1-3H
InChIKeyWGFTWFHJWKPWNP-UHFFFAOYSA-N
MW572.01 g/mol
LogP4.06
Rot. Bonds2

About 2-fluoro-4-iodopyridine-3-carbaldehyde;2,2,2-trifluoro-1-(2-fluoro-4-iodo-3-pyridinyl)ethanol

2-fluoro-4-iodopyridine-3-carbaldehyde;2,2,2-trifluoro-1-(2-fluoro-4-iodo-3-pyridinyl)ethanol (PubChem CID 161496185) has the molecular formula C13H7F5I2N2O2 and a molecular weight of 572.01 g/mol. Its IUPAC name is 2-fluoro-4-iodopyridine-3-carbaldehyde;2,2,2-trifluoro-1-(2-fluoro-4-iodo-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-fluoro-4-iodopyridine-3-carbaldehyde;2,2,2-trifluoro-1-(2-fluoro-4-iodo-3-pyridinyl)ethanol
PubChem CID161496185
Molecular FormulaC13H7F5I2N2O2
Molecular Weight572.01 g/mol
Exact Mass571.85
IUPAC Name2-fluoro-4-iodopyridine-3-carbaldehyde;2,2,2-trifluoro-1-(2-fluoro-4-iodo-3-pyridinyl)ethanol
SMILESO=Cc1c(I)ccnc1F.OC(c1c(I)ccnc1F)C(F)(F)F
InChIInChI=1S/C7H4F4INO.C6H3FINO/c8-6-4(3(12)1-2-13-6)5(14)7(9,10)11;7-6-4(3-10)5(8)1-2-9-6/h1-2,5,14H;1-3H
InChIKeyWGFTWFHJWKPWNP-UHFFFAOYSA-N
XLogP4.06
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.01
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-iodopyridine-3-carbaldehyde;2,2,2-trifluoro-1-(2-fluoro-4-iodo-3-pyridinyl)ethanol?
The IUPAC name of 2-fluoro-4-iodopyridine-3-carbaldehyde;2,2,2-trifluoro-1-(2-fluoro-4-iodo-3-pyridinyl)ethanol (CID 161496185) is 2-fluoro-4-iodopyridine-3-carbaldehyde;2,2,2-trifluoro-1-(2-fluoro-4-iodo-3-pyridinyl)ethanol.
What is the SMILES notation for 2-fluoro-4-iodopyridine-3-carbaldehyde;2,2,2-trifluoro-1-(2-fluoro-4-iodo-3-pyridinyl)ethanol?
The canonical SMILES for 2-fluoro-4-iodopyridine-3-carbaldehyde;2,2,2-trifluoro-1-(2-fluoro-4-iodo-3-pyridinyl)ethanol is O=Cc1c(I)ccnc1F.OC(c1c(I)ccnc1F)C(F)(F)F.
What is the InChIKey of 2-fluoro-4-iodopyridine-3-carbaldehyde;2,2,2-trifluoro-1-(2-fluoro-4-iodo-3-pyridinyl)ethanol?
The InChIKey is WGFTWFHJWKPWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4INO.C6H3FINO/c8-6-4(3(12)1-2-13-6)5(14)7(9,10)11;7-6-4(3-10)5(8)1-2-9-6/h1-2,5,14H;1-3H.
What are the key properties of 2-fluoro-4-iodopyridine-3-carbaldehyde;2,2,2-trifluoro-1-(2-fluoro-4-iodo-3-pyridinyl)ethanol?
2-fluoro-4-iodopyridine-3-carbaldehyde;2,2,2-trifluoro-1-(2-fluoro-4-iodo-3-pyridinyl)ethanol has a molecular weight of 572.01 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-iodopyridine-3-carbaldehyde;2,2,2-trifluoro-1-(2-fluoro-4-iodo-3-pyridinyl)ethanol is sourced from PubChem (CID 161496185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).