2-(4-iodophenyl)-1-pyrimidin-2-ylethanone

C12H9IN2O — CID 65478705

IUPAC2-(4-iodophenyl)-1-pyrimidin-2-ylethanone
SMILESO=C(Cc1ccc(I)cc1)c1ncccn1
InChIInChI=1S/C12H9IN2O/c13-10-4-2-9(3-5-10)8-11(16)12-14-6-1-7-15-12/h1-7H,8H2
InChIKeyBVBAOHUDHDESCR-UHFFFAOYSA-N
MW324.12 g/mol
LogP2.51
Rot. Bonds3

About 2-(4-iodophenyl)-1-pyrimidin-2-ylethanone

2-(4-iodophenyl)-1-pyrimidin-2-ylethanone (PubChem CID 65478705) has the molecular formula C12H9IN2O and a molecular weight of 324.12 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1-pyrimidin-2-ylethanone.

Molecular Properties

Compound Name2-(4-iodophenyl)-1-pyrimidin-2-ylethanone
PubChem CID65478705
Molecular FormulaC12H9IN2O
Molecular Weight324.12 g/mol
Exact Mass323.98
IUPAC Name2-(4-iodophenyl)-1-pyrimidin-2-ylethanone
SMILESO=C(Cc1ccc(I)cc1)c1ncccn1
InChIInChI=1S/C12H9IN2O/c13-10-4-2-9(3-5-10)8-11(16)12-14-6-1-7-15-12/h1-7H,8H2
InChIKeyBVBAOHUDHDESCR-UHFFFAOYSA-N
XLogP2.51
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.12
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-iodophenyl)-1-quinolin-8-ylethanone
CID 105103153
1-(4-iodophenyl)-2-phenylethanone
CID 24723884
2-(4-iodophenyl)acetyl chloride
CID 13340573
1-(2-chlorofuran-3-yl)-2-(4-iodophenyl)ethanone
CID 106691035
3-fluoro-1-(4-iodophenyl)-3-methylbutan-2-one
CID 126982059
1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-2-(4-iodophenyl)ethanone
CID 116610685
1-(2-tert-butylphenyl)-2-(4-iodophenyl)ethanone
CID 114974201
3-(4-iodophenyl)-2-oxopropanal
CID 19048059
2-(4-iodophenyl)-1-(1-phenylpyrazol-4-yl)ethanone
CID 105103146
2-[(4-iodophenyl)methylsulfinyl]pyridin-3-amine
CID 65476330
1-(5-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanone
CID 114974177
2-amino-1-pyrimidin-2-ylethanone;hydrochloride
CID 67547518

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1-pyrimidin-2-ylethanone?
The IUPAC name of 2-(4-iodophenyl)-1-pyrimidin-2-ylethanone (CID 65478705) is 2-(4-iodophenyl)-1-pyrimidin-2-ylethanone.
What is the SMILES notation for 2-(4-iodophenyl)-1-pyrimidin-2-ylethanone?
The canonical SMILES for 2-(4-iodophenyl)-1-pyrimidin-2-ylethanone is O=C(Cc1ccc(I)cc1)c1ncccn1.
What is the InChIKey of 2-(4-iodophenyl)-1-pyrimidin-2-ylethanone?
The InChIKey is BVBAOHUDHDESCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IN2O/c13-10-4-2-9(3-5-10)8-11(16)12-14-6-1-7-15-12/h1-7H,8H2.
What are the key properties of 2-(4-iodophenyl)-1-pyrimidin-2-ylethanone?
2-(4-iodophenyl)-1-pyrimidin-2-ylethanone has a molecular weight of 324.12 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1-pyrimidin-2-ylethanone is sourced from PubChem (CID 65478705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).