2,6-dichloropyrimidine-4-carbonyl iodide

C5HCl2IN2O — CID 163613389

IUPAC2,6-dichloropyrimidine-4-carbonyl iodide
SMILESO=C(I)c1cc(Cl)nc(Cl)n1
InChIInChI=1S/C5HCl2IN2O/c6-3-1-2(4(8)11)9-5(7)10-3/h1H
InChIKeyHHWLGGOTDHVNCN-UHFFFAOYSA-N
MW302.89 g/mol
LogP2.36
Rot. Bonds1

About 2,6-dichloropyrimidine-4-carbonyl iodide

2,6-dichloropyrimidine-4-carbonyl iodide (PubChem CID 163613389) has the molecular formula C5HCl2IN2O and a molecular weight of 302.89 g/mol. Its IUPAC name is 2,6-dichloropyrimidine-4-carbonyl iodide.

Molecular Properties

Compound Name2,6-dichloropyrimidine-4-carbonyl iodide
PubChem CID163613389
Molecular FormulaC5HCl2IN2O
Molecular Weight302.89 g/mol
Exact Mass301.85
IUPAC Name2,6-dichloropyrimidine-4-carbonyl iodide
SMILESO=C(I)c1cc(Cl)nc(Cl)n1
InChIInChI=1S/C5HCl2IN2O/c6-3-1-2(4(8)11)9-5(7)10-3/h1H
InChIKeyHHWLGGOTDHVNCN-UHFFFAOYSA-N
XLogP2.36
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.89
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloropyrimidine-4-carbonyl iodide?
The IUPAC name of 2,6-dichloropyrimidine-4-carbonyl iodide (CID 163613389) is 2,6-dichloropyrimidine-4-carbonyl iodide.
What is the SMILES notation for 2,6-dichloropyrimidine-4-carbonyl iodide?
The canonical SMILES for 2,6-dichloropyrimidine-4-carbonyl iodide is O=C(I)c1cc(Cl)nc(Cl)n1.
What is the InChIKey of 2,6-dichloropyrimidine-4-carbonyl iodide?
The InChIKey is HHWLGGOTDHVNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl2IN2O/c6-3-1-2(4(8)11)9-5(7)10-3/h1H.
What are the key properties of 2,6-dichloropyrimidine-4-carbonyl iodide?
2,6-dichloropyrimidine-4-carbonyl iodide has a molecular weight of 302.89 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloropyrimidine-4-carbonyl iodide is sourced from PubChem (CID 163613389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).