4-(5-chloro-2-iodophenyl)-1H-pyrimidin-6-one

C10H6ClIN2O — CID 136947834

IUPAC4-(5-chloro-2-iodophenyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cc(Cl)ccc2I)nc[nH]1
InChIInChI=1S/C10H6ClIN2O/c11-6-1-2-8(12)7(3-6)9-4-10(15)14-5-13-9/h1-5H,(H,13,14,15)
InChIKeyCOAGVIYQHMTCAJ-UHFFFAOYSA-N
MW332.53 g/mol
LogP2.69
Rot. Bonds1

About 4-(5-chloro-2-iodophenyl)-1H-pyrimidin-6-one

4-(5-chloro-2-iodophenyl)-1H-pyrimidin-6-one (PubChem CID 136947834) has the molecular formula C10H6ClIN2O and a molecular weight of 332.53 g/mol. Its IUPAC name is 4-(5-chloro-2-iodophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-chloro-2-iodophenyl)-1H-pyrimidin-6-one
PubChem CID136947834
Molecular FormulaC10H6ClIN2O
Molecular Weight332.53 g/mol
Exact Mass331.92
IUPAC Name4-(5-chloro-2-iodophenyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cc(Cl)ccc2I)nc[nH]1
InChIInChI=1S/C10H6ClIN2O/c11-6-1-2-8(12)7(3-6)9-4-10(15)14-5-13-9/h1-5H,(H,13,14,15)
InChIKeyCOAGVIYQHMTCAJ-UHFFFAOYSA-N
XLogP2.69
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 52.69
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 4-(5-chloro-2-iodophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-chloro-2-iodophenyl)-1H-pyrimidin-6-one (CID 136947834) is 4-(5-chloro-2-iodophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-chloro-2-iodophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-chloro-2-iodophenyl)-1H-pyrimidin-6-one is O=c1cc(-c2cc(Cl)ccc2I)nc[nH]1.
What is the InChIKey of 4-(5-chloro-2-iodophenyl)-1H-pyrimidin-6-one?
The InChIKey is COAGVIYQHMTCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClIN2O/c11-6-1-2-8(12)7(3-6)9-4-10(15)14-5-13-9/h1-5H,(H,13,14,15).
What are the key properties of 4-(5-chloro-2-iodophenyl)-1H-pyrimidin-6-one?
4-(5-chloro-2-iodophenyl)-1H-pyrimidin-6-one has a molecular weight of 332.53 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-iodophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136947834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).