5,6-dichloropyrimidine-2,4-dicarbaldehyde

C6H2Cl2N2O2 — CID 175069673

IUPAC5,6-dichloropyrimidine-2,4-dicarbaldehyde
SMILESO=Cc1nc(Cl)c(Cl)c(C=O)n1
InChIInChI=1S/C6H2Cl2N2O2/c7-5-3(1-11)9-4(2-12)10-6(5)8/h1-2H
InChIKeyHZQYXSLDQHKCDH-UHFFFAOYSA-N
MW205.00 g/mol
LogP1.41
Rot. Bonds2

About 5,6-dichloropyrimidine-2,4-dicarbaldehyde

5,6-dichloropyrimidine-2,4-dicarbaldehyde (PubChem CID 175069673) has the molecular formula C6H2Cl2N2O2 and a molecular weight of 205.00 g/mol. Its IUPAC name is 5,6-dichloropyrimidine-2,4-dicarbaldehyde.

Molecular Properties

Compound Name5,6-dichloropyrimidine-2,4-dicarbaldehyde
PubChem CID175069673
Molecular FormulaC6H2Cl2N2O2
Molecular Weight205.00 g/mol
Exact Mass203.95
IUPAC Name5,6-dichloropyrimidine-2,4-dicarbaldehyde
SMILESO=Cc1nc(Cl)c(Cl)c(C=O)n1
InChIInChI=1S/C6H2Cl2N2O2/c7-5-3(1-11)9-4(2-12)10-6(5)8/h1-2H
InChIKeyHZQYXSLDQHKCDH-UHFFFAOYSA-N
XLogP1.41
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.00
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5,6-trichloropyridine-2-carbaldehyde
CID 86070350
hydron;1,3,5-triazine-2,4,6-tricarbaldehyde
CID 174463279
3,5-diamino-6-chloropyrazine-2-carbaldehyde
CID 121478493
3-bromo-6-chloropyridine-2-carbaldehyde
CID 71721004
3,6-dichloropyridine-2-carbaldehyde
CID 10821148
2-amino-5-chloro-1,3-thiazole-4-carbaldehyde
CID 2763228
6-chloro-3-fluoro-5-methylpyridine-2-carbaldehyde
CID 155970404
3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075614
5,6-dimethylpyrazine-2,3-dicarbaldehyde
CID 22151767
2,3-dichloroquinoline-4-carbaldehyde
CID 174397370
2,3-dichloro-6-(difluoromethyl)pyridine-4-carbaldehyde
CID 119009671
4-(aminomethyl)-3-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 118829181

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloropyrimidine-2,4-dicarbaldehyde?
The IUPAC name of 5,6-dichloropyrimidine-2,4-dicarbaldehyde (CID 175069673) is 5,6-dichloropyrimidine-2,4-dicarbaldehyde.
What is the SMILES notation for 5,6-dichloropyrimidine-2,4-dicarbaldehyde?
The canonical SMILES for 5,6-dichloropyrimidine-2,4-dicarbaldehyde is O=Cc1nc(Cl)c(Cl)c(C=O)n1.
What is the InChIKey of 5,6-dichloropyrimidine-2,4-dicarbaldehyde?
The InChIKey is HZQYXSLDQHKCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2N2O2/c7-5-3(1-11)9-4(2-12)10-6(5)8/h1-2H.
What are the key properties of 5,6-dichloropyrimidine-2,4-dicarbaldehyde?
5,6-dichloropyrimidine-2,4-dicarbaldehyde has a molecular weight of 205.00 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloropyrimidine-2,4-dicarbaldehyde is sourced from PubChem (CID 175069673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).