6-methoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde

C7H5F3N2O2 — CID 83882638

IUPAC6-methoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde
SMILESCOc1cc(C=O)nc(C(F)(F)F)n1
InChIInChI=1S/C7H5F3N2O2/c1-14-5-2-4(3-13)11-6(12-5)7(8,9)10/h2-3H,1H3
InChIKeyCDSVNBSNZSPSQZ-UHFFFAOYSA-N
MW206.12 g/mol
LogP1.32
Rot. Bonds2

About 6-methoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde

6-methoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde (PubChem CID 83882638) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 6-methoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde
PubChem CID83882638
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name6-methoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde
SMILESCOc1cc(C=O)nc(C(F)(F)F)n1
InChIInChI=1S/C7H5F3N2O2/c1-14-5-2-4(3-13)11-6(12-5)7(8,9)10/h2-3H,1H3
InChIKeyCDSVNBSNZSPSQZ-UHFFFAOYSA-N
XLogP1.32
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde?
The IUPAC name of 6-methoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde (CID 83882638) is 6-methoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-methoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde?
The canonical SMILES for 6-methoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde is COc1cc(C=O)nc(C(F)(F)F)n1.
What is the InChIKey of 6-methoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde?
The InChIKey is CDSVNBSNZSPSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c1-14-5-2-4(3-13)11-6(12-5)7(8,9)10/h2-3H,1H3.
What are the key properties of 6-methoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde?
6-methoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde has a molecular weight of 206.12 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde is sourced from PubChem (CID 83882638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).