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

C11H4ClF6N3O — CID 122455861

IUPAC5-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)Oc1cnc(Cl)cc1-c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C11H4ClF6N3O/c12-8-1-6(7(4-19-8)22-11(16,17)18)5-2-20-9(21-3-5)10(13,14)15/h1-4H
InChIKeyNESHFWAZYIRJKQ-UHFFFAOYSA-N
MW343.61 g/mol
LogP4.11
Rot. Bonds2

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

5-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine (PubChem CID 122455861) has the molecular formula C11H4ClF6N3O and a molecular weight of 343.61 g/mol. Its IUPAC name is 5-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine
PubChem CID122455861
Molecular FormulaC11H4ClF6N3O
Molecular Weight343.61 g/mol
Exact Mass342.99
IUPAC Name5-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)Oc1cnc(Cl)cc1-c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C11H4ClF6N3O/c12-8-1-6(7(4-19-8)22-11(16,17)18)5-2-20-9(21-3-5)10(13,14)15/h1-4H
InChIKeyNESHFWAZYIRJKQ-UHFFFAOYSA-N
XLogP4.11
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.61
LogP ≤ 54.11
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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Related Compounds

4-Chloro-6-methoxypyrido(2,3-d)pyrimidine
CID 129968609
5-Bromo-2-((5-chloropyridin-3-yl)oxy)pyrimidine
CID 3414585
2-(5-Chloro-2-methoxypyridin-4-YL)-5-fluoro-N,N-dimethylpyrimidin-4-amine
CID 74234045
4-[2-(5-Chloro-2-methoxypyridin-4-YL)-5-fluoropyrimidin-4-YL]morpholine
CID 74250911
Pyrimidine, 4-chloro-2-[3-(difluoromethoxy)phenyl]-
CID 13590372
4-Chloro-2-[2-(trifluoromethoxy)phenyl]pyrimidine
CID 43654697
4-Chloro-2-(4-trifluoromethoxyphenyl)-pyrimidine
CID 43654761
2-[(6-Chloro-3-pyridinyl)oxy]-5-fluoropyrimidin-4-amine
CID 57818589
2-[(2-Chloro-6-methoxy-4-pyridinyl)methoxy]-5-fluoropyrimidin-4-amine
CID 57818941
2-(2-Methoxypyridin-4-yl)-5-(trifluoromethyl)pyrimidine
CID 57950285
5-(2-Methoxypyridin-4-yl)-2-(trifluoromethyl)pyrimidine
CID 57950404
2-(5-chloro-2-fluorophenyl)-5-methoxy-N-(3-methoxy-4-pyridinyl)pyrimidin-4-amine
CID 60100704

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine (CID 122455861) is 5-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine is FC(F)(F)Oc1cnc(Cl)cc1-c1cnc(C(F)(F)F)nc1.
What is the InChIKey of 5-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine?
The InChIKey is NESHFWAZYIRJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4ClF6N3O/c12-8-1-6(7(4-19-8)22-11(16,17)18)5-2-20-9(21-3-5)10(13,14)15/h1-4H.
What are the key properties of 5-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine?
5-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine has a molecular weight of 343.61 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 122455861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).