2-methoxy-4-(trifluoromethyl)pyrimidine-5-carbaldehyde

C7H5F3N2O2 — CID 131541211

IUPAC2-methoxy-4-(trifluoromethyl)pyrimidine-5-carbaldehyde
SMILESCOc1ncc(C=O)c(C(F)(F)F)n1
InChIInChI=1S/C7H5F3N2O2/c1-14-6-11-2-4(3-13)5(12-6)7(8,9)10/h2-3H,1H3
InChIKeyCWCOYZJKMDNNJX-UHFFFAOYSA-N
MW206.12 g/mol
LogP1.32
Rot. Bonds2

About 2-methoxy-4-(trifluoromethyl)pyrimidine-5-carbaldehyde

2-methoxy-4-(trifluoromethyl)pyrimidine-5-carbaldehyde (PubChem CID 131541211) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 2-methoxy-4-(trifluoromethyl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-4-(trifluoromethyl)pyrimidine-5-carbaldehyde
PubChem CID131541211
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name2-methoxy-4-(trifluoromethyl)pyrimidine-5-carbaldehyde
SMILESCOc1ncc(C=O)c(C(F)(F)F)n1
InChIInChI=1S/C7H5F3N2O2/c1-14-6-11-2-4(3-13)5(12-6)7(8,9)10/h2-3H,1H3
InChIKeyCWCOYZJKMDNNJX-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 2-methoxy-4-(trifluoromethyl)pyrimidine-5-carbaldehyde?
The IUPAC name of 2-methoxy-4-(trifluoromethyl)pyrimidine-5-carbaldehyde (CID 131541211) is 2-methoxy-4-(trifluoromethyl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-methoxy-4-(trifluoromethyl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-methoxy-4-(trifluoromethyl)pyrimidine-5-carbaldehyde is COc1ncc(C=O)c(C(F)(F)F)n1.
What is the InChIKey of 2-methoxy-4-(trifluoromethyl)pyrimidine-5-carbaldehyde?
The InChIKey is CWCOYZJKMDNNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c1-14-6-11-2-4(3-13)5(12-6)7(8,9)10/h2-3H,1H3.
What are the key properties of 2-methoxy-4-(trifluoromethyl)pyrimidine-5-carbaldehyde?
2-methoxy-4-(trifluoromethyl)pyrimidine-5-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 2-methoxy-4-(trifluoromethyl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 131541211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).