4,6-dichloro-2-(trifluoromethyl)pyrimidine-5-carbaldehyde

C6HCl2F3N2O — CID 130748717

IUPAC4,6-dichloro-2-(trifluoromethyl)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)nc(C(F)(F)F)nc1Cl
InChIInChI=1S/C6HCl2F3N2O/c7-3-2(1-14)4(8)13-5(12-3)6(9,10)11/h1H
InChIKeyAPWYIRYHSGTMTI-UHFFFAOYSA-N
MW244.99 g/mol
LogP2.61
Rot. Bonds1

About 4,6-dichloro-2-(trifluoromethyl)pyrimidine-5-carbaldehyde

4,6-dichloro-2-(trifluoromethyl)pyrimidine-5-carbaldehyde (PubChem CID 130748717) has the molecular formula C6HCl2F3N2O and a molecular weight of 244.99 g/mol. Its IUPAC name is 4,6-dichloro-2-(trifluoromethyl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4,6-dichloro-2-(trifluoromethyl)pyrimidine-5-carbaldehyde
PubChem CID130748717
Molecular FormulaC6HCl2F3N2O
Molecular Weight244.99 g/mol
Exact Mass243.94
IUPAC Name4,6-dichloro-2-(trifluoromethyl)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)nc(C(F)(F)F)nc1Cl
InChIInChI=1S/C6HCl2F3N2O/c7-3-2(1-14)4(8)13-5(12-3)6(9,10)11/h1H
InChIKeyAPWYIRYHSGTMTI-UHFFFAOYSA-N
XLogP2.61
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.99
LogP ≤ 52.61
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 4,6-dichloro-2-(trifluoromethyl)pyrimidine-5-carbaldehyde?
The IUPAC name of 4,6-dichloro-2-(trifluoromethyl)pyrimidine-5-carbaldehyde (CID 130748717) is 4,6-dichloro-2-(trifluoromethyl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4,6-dichloro-2-(trifluoromethyl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4,6-dichloro-2-(trifluoromethyl)pyrimidine-5-carbaldehyde is O=Cc1c(Cl)nc(C(F)(F)F)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-(trifluoromethyl)pyrimidine-5-carbaldehyde?
The InChIKey is APWYIRYHSGTMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl2F3N2O/c7-3-2(1-14)4(8)13-5(12-3)6(9,10)11/h1H.
What are the key properties of 4,6-dichloro-2-(trifluoromethyl)pyrimidine-5-carbaldehyde?
4,6-dichloro-2-(trifluoromethyl)pyrimidine-5-carbaldehyde has a molecular weight of 244.99 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(trifluoromethyl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 130748717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).