2-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyrimidine

C11H4Cl3F3N2 — CID 118847643

IUPAC2-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cnc(-c2cc(Cl)c(Cl)c(Cl)c2)nc1
InChIInChI=1S/C11H4Cl3F3N2/c12-7-1-5(2-8(13)9(7)14)10-18-3-6(4-19-10)11(15,16)17/h1-4H
InChIKeyVOMLPMWERMIBOG-UHFFFAOYSA-N
MW327.52 g/mol
LogP5.12
Rot. Bonds1

About 2-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyrimidine

2-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyrimidine (PubChem CID 118847643) has the molecular formula C11H4Cl3F3N2 and a molecular weight of 327.52 g/mol. Its IUPAC name is 2-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyrimidine
PubChem CID118847643
Molecular FormulaC11H4Cl3F3N2
Molecular Weight327.52 g/mol
Exact Mass325.94
IUPAC Name2-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cnc(-c2cc(Cl)c(Cl)c(Cl)c2)nc1
InChIInChI=1S/C11H4Cl3F3N2/c12-7-1-5(2-8(13)9(7)14)10-18-3-6(4-19-10)11(15,16)17/h1-4H
InChIKeyVOMLPMWERMIBOG-UHFFFAOYSA-N
XLogP5.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.52
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dichlorophenyl)-5-(trifluoromethyl)pyrimidine
CID 118830739
2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyrimidine
CID 118802423
3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 134621675
5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134637957
2-chloro-4-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine
CID 119021738
2-bromo-3-chloro-5-(trifluoromethyl)pyridine
CID 2736237
[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methanamine
CID 122693562
3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine
CID 133090076
3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine
CID 53396566
2-[3,5-bis(trifluoromethyl)phenyl]pyrimidine
CID 54057342
4-chloro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 118822370
3-chloro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 175669606

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyrimidine (CID 118847643) is 2-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyrimidine is FC(F)(F)c1cnc(-c2cc(Cl)c(Cl)c(Cl)c2)nc1.
What is the InChIKey of 2-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyrimidine?
The InChIKey is VOMLPMWERMIBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl3F3N2/c12-7-1-5(2-8(13)9(7)14)10-18-3-6(4-19-10)11(15,16)17/h1-4H.
What are the key properties of 2-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyrimidine?
2-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyrimidine has a molecular weight of 327.52 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 118847643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).