6-fluoro-4-iodopyridin-3-amine;2,2,2-trifluoroacetic acid

C7H5F4IN2O2 — CID 86641874

IUPAC6-fluoro-4-iodopyridin-3-amine;2,2,2-trifluoroacetic acid
SMILESNc1cnc(F)cc1I.O=C(O)C(F)(F)F
InChIInChI=1S/C5H4FIN2.C2HF3O2/c6-5-1-3(7)4(8)2-9-5;3-2(4,5)1(6)7/h1-2H,8H2;(H,6,7)
InChIKeyYICYEKATVDADPI-UHFFFAOYSA-N
MW352.03 g/mol
LogP2.04
Rot. Bonds

About 6-fluoro-4-iodopyridin-3-amine;2,2,2-trifluoroacetic acid

6-fluoro-4-iodopyridin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 86641874) has the molecular formula C7H5F4IN2O2 and a molecular weight of 352.03 g/mol. Its IUPAC name is 6-fluoro-4-iodopyridin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-fluoro-4-iodopyridin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID86641874
Molecular FormulaC7H5F4IN2O2
Molecular Weight352.03 g/mol
Exact Mass351.93
IUPAC Name6-fluoro-4-iodopyridin-3-amine;2,2,2-trifluoroacetic acid
SMILESNc1cnc(F)cc1I.O=C(O)C(F)(F)F
InChIInChI=1S/C5H4FIN2.C2HF3O2/c6-5-1-3(7)4(8)2-9-5;3-2(4,5)1(6)7/h1-2H,8H2;(H,6,7)
InChIKeyYICYEKATVDADPI-UHFFFAOYSA-N
XLogP2.04
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.03
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-iodopyridin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-fluoro-4-iodopyridin-3-amine;2,2,2-trifluoroacetic acid (CID 86641874) is 6-fluoro-4-iodopyridin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-fluoro-4-iodopyridin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-fluoro-4-iodopyridin-3-amine;2,2,2-trifluoroacetic acid is Nc1cnc(F)cc1I.O=C(O)C(F)(F)F.
What is the InChIKey of 6-fluoro-4-iodopyridin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is YICYEKATVDADPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FIN2.C2HF3O2/c6-5-1-3(7)4(8)2-9-5;3-2(4,5)1(6)7/h1-2H,8H2;(H,6,7).
What are the key properties of 6-fluoro-4-iodopyridin-3-amine;2,2,2-trifluoroacetic acid?
6-fluoro-4-iodopyridin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 352.03 g/mol, XLogP of 2.04, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-iodopyridin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86641874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).