1-(2-fluoro-4-iodophenyl)-3-pyrazin-2-ylurea

C11H8FIN4O — CID 110492640

IUPAC1-(2-fluoro-4-iodophenyl)-3-pyrazin-2-ylurea
SMILESO=C(Nc1cnccn1)Nc1ccc(I)cc1F
InChIInChI=1S/C11H8FIN4O/c12-8-5-7(13)1-2-9(8)16-11(18)17-10-6-14-3-4-15-10/h1-6H,(H2,15,16,17,18)
InChIKeyQGWZTIAYCIHKKA-UHFFFAOYSA-N
MW358.11 g/mol
LogP2.86
Rot. Bonds2

About 1-(2-fluoro-4-iodophenyl)-3-pyrazin-2-ylurea

1-(2-fluoro-4-iodophenyl)-3-pyrazin-2-ylurea (PubChem CID 110492640) has the molecular formula C11H8FIN4O and a molecular weight of 358.11 g/mol. Its IUPAC name is 1-(2-fluoro-4-iodophenyl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(2-fluoro-4-iodophenyl)-3-pyrazin-2-ylurea
PubChem CID110492640
Molecular FormulaC11H8FIN4O
Molecular Weight358.11 g/mol
Exact Mass357.97
IUPAC Name1-(2-fluoro-4-iodophenyl)-3-pyrazin-2-ylurea
SMILESO=C(Nc1cnccn1)Nc1ccc(I)cc1F
InChIInChI=1S/C11H8FIN4O/c12-8-5-7(13)1-2-9(8)16-11(18)17-10-6-14-3-4-15-10/h1-6H,(H2,15,16,17,18)
InChIKeyQGWZTIAYCIHKKA-UHFFFAOYSA-N
XLogP2.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.11
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-iodophenyl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(2-fluoro-4-iodophenyl)-3-pyrazin-2-ylurea (CID 110492640) is 1-(2-fluoro-4-iodophenyl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(2-fluoro-4-iodophenyl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(2-fluoro-4-iodophenyl)-3-pyrazin-2-ylurea is O=C(Nc1cnccn1)Nc1ccc(I)cc1F.
What is the InChIKey of 1-(2-fluoro-4-iodophenyl)-3-pyrazin-2-ylurea?
The InChIKey is QGWZTIAYCIHKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FIN4O/c12-8-5-7(13)1-2-9(8)16-11(18)17-10-6-14-3-4-15-10/h1-6H,(H2,15,16,17,18).
What are the key properties of 1-(2-fluoro-4-iodophenyl)-3-pyrazin-2-ylurea?
1-(2-fluoro-4-iodophenyl)-3-pyrazin-2-ylurea has a molecular weight of 358.11 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-iodophenyl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 110492640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).