2,4,6-trichloropyrimidine-5-carbaldehyde

C5HCl3N2O — CID 10932746

IUPAC2,4,6-trichloropyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)nc(Cl)nc1Cl
InChIInChI=1S/C5HCl3N2O/c6-3-2(1-11)4(7)10-5(8)9-3/h1H
InChIKeyKVJIRFGNHAAUNQ-UHFFFAOYSA-N
MW211.44 g/mol
LogP2.25
Rot. Bonds1

About 2,4,6-trichloropyrimidine-5-carbaldehyde

2,4,6-trichloropyrimidine-5-carbaldehyde (PubChem CID 10932746) has the molecular formula C5HCl3N2O and a molecular weight of 211.44 g/mol. Its IUPAC name is 2,4,6-trichloropyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2,4,6-trichloropyrimidine-5-carbaldehyde
PubChem CID10932746
Molecular FormulaC5HCl3N2O
Molecular Weight211.44 g/mol
Exact Mass209.92
IUPAC Name2,4,6-trichloropyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)nc(Cl)nc1Cl
InChIInChI=1S/C5HCl3N2O/c6-3-2(1-11)4(7)10-5(8)9-3/h1H
InChIKeyKVJIRFGNHAAUNQ-UHFFFAOYSA-N
XLogP2.25
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.44
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloropyrimidine-5-carbaldehyde?
The IUPAC name of 2,4,6-trichloropyrimidine-5-carbaldehyde (CID 10932746) is 2,4,6-trichloropyrimidine-5-carbaldehyde.
What is the SMILES notation for 2,4,6-trichloropyrimidine-5-carbaldehyde?
The canonical SMILES for 2,4,6-trichloropyrimidine-5-carbaldehyde is O=Cc1c(Cl)nc(Cl)nc1Cl.
What is the InChIKey of 2,4,6-trichloropyrimidine-5-carbaldehyde?
The InChIKey is KVJIRFGNHAAUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl3N2O/c6-3-2(1-11)4(7)10-5(8)9-3/h1H.
What are the key properties of 2,4,6-trichloropyrimidine-5-carbaldehyde?
2,4,6-trichloropyrimidine-5-carbaldehyde has a molecular weight of 211.44 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloropyrimidine-5-carbaldehyde is sourced from PubChem (CID 10932746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).