2-(4-fluorophenyl)-5-iodo-1H-pyrimidin-6-one

C10H6FIN2O — CID 66317416

IUPAC2-(4-fluorophenyl)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(F)cc2)ncc1I
InChIInChI=1S/C10H6FIN2O/c11-7-3-1-6(2-4-7)9-13-5-8(12)10(15)14-9/h1-5H,(H,13,14,15)
InChIKeyLIYVPQAQTQQSPD-UHFFFAOYSA-N
MW316.07 g/mol
LogP2.18
Rot. Bonds1

About 2-(4-fluorophenyl)-5-iodo-1H-pyrimidin-6-one

2-(4-fluorophenyl)-5-iodo-1H-pyrimidin-6-one (PubChem CID 66317416) has the molecular formula C10H6FIN2O and a molecular weight of 316.07 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-iodo-1H-pyrimidin-6-one
PubChem CID66317416
Molecular FormulaC10H6FIN2O
Molecular Weight316.07 g/mol
Exact Mass315.95
IUPAC Name2-(4-fluorophenyl)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(F)cc2)ncc1I
InChIInChI=1S/C10H6FIN2O/c11-7-3-1-6(2-4-7)9-13-5-8(12)10(15)14-9/h1-5H,(H,13,14,15)
InChIKeyLIYVPQAQTQQSPD-UHFFFAOYSA-N
XLogP2.18
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.07
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-fluorophenyl)-5-iodo-1H-pyrimidin-6-one (CID 66317416) is 2-(4-fluorophenyl)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-iodo-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccc(F)cc2)ncc1I.
What is the InChIKey of 2-(4-fluorophenyl)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is LIYVPQAQTQQSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FIN2O/c11-7-3-1-6(2-4-7)9-13-5-8(12)10(15)14-9/h1-5H,(H,13,14,15).
What are the key properties of 2-(4-fluorophenyl)-5-iodo-1H-pyrimidin-6-one?
2-(4-fluorophenyl)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 316.07 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 66317416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).