1-(2-iodopyrimidin-5-yl)propan-1-one

C7H7IN2O — CID 145391027

IUPAC1-(2-iodopyrimidin-5-yl)propan-1-one
SMILESCCC(=O)c1cnc(I)nc1
InChIInChI=1S/C7H7IN2O/c1-2-6(11)5-3-9-7(8)10-4-5/h3-4H,2H2,1H3
InChIKeyAAWULPYVILUBTG-UHFFFAOYSA-N
MW262.05 g/mol
LogP1.67
Rot. Bonds2

About 1-(2-iodopyrimidin-5-yl)propan-1-one

1-(2-iodopyrimidin-5-yl)propan-1-one (PubChem CID 145391027) has the molecular formula C7H7IN2O and a molecular weight of 262.05 g/mol. Its IUPAC name is 1-(2-iodopyrimidin-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-iodopyrimidin-5-yl)propan-1-one
PubChem CID145391027
Molecular FormulaC7H7IN2O
Molecular Weight262.05 g/mol
Exact Mass261.96
IUPAC Name1-(2-iodopyrimidin-5-yl)propan-1-one
SMILESCCC(=O)c1cnc(I)nc1
InChIInChI=1S/C7H7IN2O/c1-2-6(11)5-3-9-7(8)10-4-5/h3-4H,2H2,1H3
InChIKeyAAWULPYVILUBTG-UHFFFAOYSA-N
XLogP1.67
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.05
LogP ≤ 51.67
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

1-(1H-pyrazol-4-yl)propan-1-one
CID 59363533
1-[6-(dipropylamino)-3-pyridinyl]propan-1-one
CID 102546645
1-[4-(5-hydroxy-2-pyridinyl)phenyl]propan-1-one
CID 174654711
1-phenyl(111C)propan-1-one
CID 11159350
1-(5-sulfanyl-3-pyridinyl)propan-1-one
CID 143328134
1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one
CID 67889873
1-phenylpropan-1-one;zirconium
CID 173295106
methane;1-phenylpropan-1-one
CID 67638055
1-[1-[(4-iodophenyl)methyl]pyrazol-4-yl]propan-1-one
CID 65491721
1-(1,2,4-triazin-5-yl)propan-1-one
CID 82418564
1-(1,3-thiazol-5-yl)propan-1-one
CID 54522425
4-propanoylbenzenesulfonic acid
CID 151190628

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodopyrimidin-5-yl)propan-1-one?
The IUPAC name of 1-(2-iodopyrimidin-5-yl)propan-1-one (CID 145391027) is 1-(2-iodopyrimidin-5-yl)propan-1-one.
What is the SMILES notation for 1-(2-iodopyrimidin-5-yl)propan-1-one?
The canonical SMILES for 1-(2-iodopyrimidin-5-yl)propan-1-one is CCC(=O)c1cnc(I)nc1.
What is the InChIKey of 1-(2-iodopyrimidin-5-yl)propan-1-one?
The InChIKey is AAWULPYVILUBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IN2O/c1-2-6(11)5-3-9-7(8)10-4-5/h3-4H,2H2,1H3.
What are the key properties of 1-(2-iodopyrimidin-5-yl)propan-1-one?
1-(2-iodopyrimidin-5-yl)propan-1-one has a molecular weight of 262.05 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodopyrimidin-5-yl)propan-1-one is sourced from PubChem (CID 145391027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).