4-chloro-6-(trifluoromethyl)pyrimidine-5-carbaldehyde

C6H2ClF3N2O — CID 19702792

IUPAC4-chloro-6-(trifluoromethyl)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1C(F)(F)F
InChIInChI=1S/C6H2ClF3N2O/c7-5-3(1-13)4(6(8,9)10)11-2-12-5/h1-2H
InChIKeyZSDWRARULAFTMV-UHFFFAOYSA-N
MW210.54 g/mol
LogP1.96
Rot. Bonds1

About 4-chloro-6-(trifluoromethyl)pyrimidine-5-carbaldehyde

4-chloro-6-(trifluoromethyl)pyrimidine-5-carbaldehyde (PubChem CID 19702792) has the molecular formula C6H2ClF3N2O and a molecular weight of 210.54 g/mol. Its IUPAC name is 4-chloro-6-(trifluoromethyl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-(trifluoromethyl)pyrimidine-5-carbaldehyde
PubChem CID19702792
Molecular FormulaC6H2ClF3N2O
Molecular Weight210.54 g/mol
Exact Mass209.98
IUPAC Name4-chloro-6-(trifluoromethyl)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1C(F)(F)F
InChIInChI=1S/C6H2ClF3N2O/c7-5-3(1-13)4(6(8,9)10)11-2-12-5/h1-2H
InChIKeyZSDWRARULAFTMV-UHFFFAOYSA-N
XLogP1.96
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.54
LogP ≤ 51.96
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-chloro-6-(trifluoromethyl)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-(trifluoromethyl)pyrimidine-5-carbaldehyde (CID 19702792) is 4-chloro-6-(trifluoromethyl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-(trifluoromethyl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-(trifluoromethyl)pyrimidine-5-carbaldehyde is O=Cc1c(Cl)ncnc1C(F)(F)F.
What is the InChIKey of 4-chloro-6-(trifluoromethyl)pyrimidine-5-carbaldehyde?
The InChIKey is ZSDWRARULAFTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF3N2O/c7-5-3(1-13)4(6(8,9)10)11-2-12-5/h1-2H.
What are the key properties of 4-chloro-6-(trifluoromethyl)pyrimidine-5-carbaldehyde?
4-chloro-6-(trifluoromethyl)pyrimidine-5-carbaldehyde has a molecular weight of 210.54 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(trifluoromethyl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 19702792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).