5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;ethane

C13H11ClF5N3O — CID 145136669

IUPAC5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;ethane
SMILESCC.FC(F)Oc1cnc(Cl)cc1-c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C11H5ClF5N3O.C2H6/c12-8-1-6(7(4-18-8)21-10(13)14)5-2-19-9(20-3-5)11(15,16)17;1-2/h1-4,10H;1-2H3
InChIKeyMXVSEAIMEADKRL-UHFFFAOYSA-N
MW355.69 g/mol
LogP4.84
Rot. Bonds3

About 5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;ethane

5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;ethane (PubChem CID 145136669) has the molecular formula C13H11ClF5N3O and a molecular weight of 355.69 g/mol. Its IUPAC name is 5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;ethane.

Molecular Properties

Compound Name5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;ethane
PubChem CID145136669
Molecular FormulaC13H11ClF5N3O
Molecular Weight355.69 g/mol
Exact Mass355.05
IUPAC Name5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;ethane
SMILESCC.FC(F)Oc1cnc(Cl)cc1-c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C11H5ClF5N3O.C2H6/c12-8-1-6(7(4-18-8)21-10(13)14)5-2-19-9(20-3-5)11(15,16)17;1-2/h1-4,10H;1-2H3
InChIKeyMXVSEAIMEADKRL-UHFFFAOYSA-N
XLogP4.84
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.69
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;ethane?
The IUPAC name of 5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;ethane (CID 145136669) is 5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;ethane.
What is the SMILES notation for 5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;ethane?
The canonical SMILES for 5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;ethane is CC.FC(F)Oc1cnc(Cl)cc1-c1cnc(C(F)(F)F)nc1.
What is the InChIKey of 5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;ethane?
The InChIKey is MXVSEAIMEADKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF5N3O.C2H6/c12-8-1-6(7(4-18-8)21-10(13)14)5-2-19-9(20-3-5)11(15,16)17;1-2/h1-4,10H;1-2H3.
What are the key properties of 5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;ethane?
5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;ethane has a molecular weight of 355.69 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;ethane is sourced from PubChem (CID 145136669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).