4,6-dichloropyrimidine-5-carbaldehyde

C5H2Cl2N2O — CID 819691

IUPAC4,6-dichloropyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1Cl
InChIInChI=1S/C5H2Cl2N2O/c6-4-3(1-10)5(7)9-2-8-4/h1-2H
InChIKeyXQSJHQXYQAUDFC-UHFFFAOYSA-N
MW176.99 g/mol
LogP1.60
Rot. Bonds1

About 4,6-dichloropyrimidine-5-carbaldehyde

4,6-dichloropyrimidine-5-carbaldehyde (PubChem CID 819691) has the molecular formula C5H2Cl2N2O and a molecular weight of 176.99 g/mol. Its IUPAC name is 4,6-dichloropyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4,6-dichloropyrimidine-5-carbaldehyde
PubChem CID819691
Molecular FormulaC5H2Cl2N2O
Molecular Weight176.99 g/mol
Exact Mass175.95
IUPAC Name4,6-dichloropyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1Cl
InChIInChI=1S/C5H2Cl2N2O/c6-4-3(1-10)5(7)9-2-8-4/h1-2H
InChIKeyXQSJHQXYQAUDFC-UHFFFAOYSA-N
XLogP1.60
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.99
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4,6-dichloropyrimidine-5-carboxaldehyde
CID 265546
2,4,6-Trichloro-5-pyrimidinecarboxaldehyde
CID 10932746
5-Pyrimidinecarboxaldehyde, 4-amino-6-chloro-
CID 84230
4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde
CID 4614004
1-(4,6-Dichloro-5-pyrimidinyl)ethanone
CID 12278259
2,4-Dichloropyrimidine-5-carbonyl chloride
CID 13784112
4-Chloropyrimidine-5-carbonyl chloride
CID 15136787
2-Chloropyrimidine-5-carbaldehyde
CID 21698350
4,6-Dichloro-pyrimidine-5-carbonyl chloride
CID 12163360
4-Chloro-6-(methylamino)pyrimidine-5-carbaldehyde
CID 12278266
2,4-Dichloropyrimidine-5-carbaldehyde
CID 18983168
4,6-Dichloro-2-methylpyrimidine-5-carbaldehyde
CID 23035630

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloropyrimidine-5-carbaldehyde?
The IUPAC name of 4,6-dichloropyrimidine-5-carbaldehyde (CID 819691) is 4,6-dichloropyrimidine-5-carbaldehyde.
What is the SMILES notation for 4,6-dichloropyrimidine-5-carbaldehyde?
The canonical SMILES for 4,6-dichloropyrimidine-5-carbaldehyde is O=Cc1c(Cl)ncnc1Cl.
What is the InChIKey of 4,6-dichloropyrimidine-5-carbaldehyde?
The InChIKey is XQSJHQXYQAUDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2N2O/c6-4-3(1-10)5(7)9-2-8-4/h1-2H.
What are the key properties of 4,6-dichloropyrimidine-5-carbaldehyde?
4,6-dichloropyrimidine-5-carbaldehyde has a molecular weight of 176.99 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloropyrimidine-5-carbaldehyde is sourced from PubChem (CID 819691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).