2-chloro-5-iodo-3-methylpyrimidin-4-one

C5H4ClIN2O — CID 135316029

IUPAC2-chloro-5-iodo-3-methylpyrimidin-4-one
SMILESCn1c(Cl)ncc(I)c1=O
InChIInChI=1S/C5H4ClIN2O/c1-9-4(10)3(7)2-8-5(9)6/h2H,1H3
InChIKeyUUAPHCNLERLEKD-UHFFFAOYSA-N
MW270.46 g/mol
LogP1.04
Rot. Bonds

About 2-chloro-5-iodo-3-methylpyrimidin-4-one

2-chloro-5-iodo-3-methylpyrimidin-4-one (PubChem CID 135316029) has the molecular formula C5H4ClIN2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-chloro-5-iodo-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-5-iodo-3-methylpyrimidin-4-one
PubChem CID135316029
Molecular FormulaC5H4ClIN2O
Molecular Weight270.46 g/mol
Exact Mass269.91
IUPAC Name2-chloro-5-iodo-3-methylpyrimidin-4-one
SMILESCn1c(Cl)ncc(I)c1=O
InChIInChI=1S/C5H4ClIN2O/c1-9-4(10)3(7)2-8-5(9)6/h2H,1H3
InChIKeyUUAPHCNLERLEKD-UHFFFAOYSA-N
XLogP1.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 51.04
H-Bond Donors ≤ 50
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 2-chloro-5-iodo-3-methylpyrimidin-4-one?
The IUPAC name of 2-chloro-5-iodo-3-methylpyrimidin-4-one (CID 135316029) is 2-chloro-5-iodo-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-chloro-5-iodo-3-methylpyrimidin-4-one?
The canonical SMILES for 2-chloro-5-iodo-3-methylpyrimidin-4-one is Cn1c(Cl)ncc(I)c1=O.
What is the InChIKey of 2-chloro-5-iodo-3-methylpyrimidin-4-one?
The InChIKey is UUAPHCNLERLEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClIN2O/c1-9-4(10)3(7)2-8-5(9)6/h2H,1H3.
What are the key properties of 2-chloro-5-iodo-3-methylpyrimidin-4-one?
2-chloro-5-iodo-3-methylpyrimidin-4-one has a molecular weight of 270.46 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-iodo-3-methylpyrimidin-4-one is sourced from PubChem (CID 135316029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).