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

C11H5ClF5N3O — CID 122455903

IUPAC5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine
SMILESFC(F)Oc1cnc(Cl)cc1-c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C11H5ClF5N3O/c12-8-1-6(7(4-18-8)21-10(13)14)5-2-19-9(20-3-5)11(15,16)17/h1-4,10H
InChIKeyOKOQFIQOQPEBMN-UHFFFAOYSA-N
MW325.62 g/mol
LogP3.81
Rot. Bonds3

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

5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine (PubChem CID 122455903) has the molecular formula C11H5ClF5N3O and a molecular weight of 325.62 g/mol. Its IUPAC name is 5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine
PubChem CID122455903
Molecular FormulaC11H5ClF5N3O
Molecular Weight325.62 g/mol
Exact Mass325.00
IUPAC Name5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine
SMILESFC(F)Oc1cnc(Cl)cc1-c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C11H5ClF5N3O/c12-8-1-6(7(4-18-8)21-10(13)14)5-2-19-9(20-3-5)11(15,16)17/h1-4,10H
InChIKeyOKOQFIQOQPEBMN-UHFFFAOYSA-N
XLogP3.81
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.62
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine (CID 122455903) is 5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine is 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?
The InChIKey is OKOQFIQOQPEBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF5N3O/c12-8-1-6(7(4-18-8)21-10(13)14)5-2-19-9(20-3-5)11(15,16)17/h1-4,10H.
What are the key properties of 5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine?
5-[2-chloro-5-(difluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine has a molecular weight of 325.62 g/mol, XLogP of 3.81, 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 is sourced from PubChem (CID 122455903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).