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

C11H4ClF6N3 — CID 122455820

IUPAC5-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ncc(-c2cc(Cl)ncc2C(F)(F)F)cn1
InChIInChI=1S/C11H4ClF6N3/c12-8-1-6(7(4-19-8)10(13,14)15)5-2-20-9(21-3-5)11(16,17)18/h1-4H
InChIKeyWAWRAXXNDXEVSA-UHFFFAOYSA-N
MW327.62 g/mol
LogP4.23
Rot. Bonds1

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

5-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine (PubChem CID 122455820) has the molecular formula C11H4ClF6N3 and a molecular weight of 327.62 g/mol. Its IUPAC name is 5-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine
PubChem CID122455820
Molecular FormulaC11H4ClF6N3
Molecular Weight327.62 g/mol
Exact Mass327.00
IUPAC Name5-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ncc(-c2cc(Cl)ncc2C(F)(F)F)cn1
InChIInChI=1S/C11H4ClF6N3/c12-8-1-6(7(4-19-8)10(13,14)15)5-2-20-9(21-3-5)11(16,17)18/h1-4H
InChIKeyWAWRAXXNDXEVSA-UHFFFAOYSA-N
XLogP4.23
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.62
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine (CID 122455820) is 5-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine is FC(F)(F)c1ncc(-c2cc(Cl)ncc2C(F)(F)F)cn1.
What is the InChIKey of 5-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine?
The InChIKey is WAWRAXXNDXEVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4ClF6N3/c12-8-1-6(7(4-19-8)10(13,14)15)5-2-20-9(21-3-5)11(16,17)18/h1-4H.
What are the key properties of 5-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine?
5-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine has a molecular weight of 327.62 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 122455820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).