7,9-dichloro-4-(4-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine

C15H6Cl3F6N3 — CID 628291

IUPAC7,9-dichloro-4-(4-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESFC(F)(F)C1(C(F)(F)F)N=C2C(Cl)=CC(Cl)=CN2C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C15H6Cl3F6N3/c16-8-3-1-7(2-4-8)11-25-13(14(19,20)21,15(22,23)24)26-12-10(18)5-9(17)6-27(11)12/h1-6H
InChIKeyYMDMRUZTFWFSGX-UHFFFAOYSA-N
MW448.58 g/mol
LogP5.84
Rot. Bonds1

About 7,9-dichloro-4-(4-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine

7,9-dichloro-4-(4-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (PubChem CID 628291) has the molecular formula C15H6Cl3F6N3 and a molecular weight of 448.58 g/mol. Its IUPAC name is 7,9-dichloro-4-(4-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.

Molecular Properties

Compound Name7,9-dichloro-4-(4-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
PubChem CID628291
Molecular FormulaC15H6Cl3F6N3
Molecular Weight448.58 g/mol
Exact Mass446.95
IUPAC Name7,9-dichloro-4-(4-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESFC(F)(F)C1(C(F)(F)F)N=C2C(Cl)=CC(Cl)=CN2C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C15H6Cl3F6N3/c16-8-3-1-7(2-4-8)11-25-13(14(19,20)21,15(22,23)24)26-12-10(18)5-9(17)6-27(11)12/h1-6H
InChIKeyYMDMRUZTFWFSGX-UHFFFAOYSA-N
XLogP5.84
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.58
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,9-dichloro-4-(4-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The IUPAC name of 7,9-dichloro-4-(4-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (CID 628291) is 7,9-dichloro-4-(4-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.
What is the SMILES notation for 7,9-dichloro-4-(4-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The canonical SMILES for 7,9-dichloro-4-(4-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is FC(F)(F)C1(C(F)(F)F)N=C2C(Cl)=CC(Cl)=CN2C(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 7,9-dichloro-4-(4-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The InChIKey is YMDMRUZTFWFSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6Cl3F6N3/c16-8-3-1-7(2-4-8)11-25-13(14(19,20)21,15(22,23)24)26-12-10(18)5-9(17)6-27(11)12/h1-6H.
What are the key properties of 7,9-dichloro-4-(4-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
7,9-dichloro-4-(4-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine has a molecular weight of 448.58 g/mol, XLogP of 5.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dichloro-4-(4-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is sourced from PubChem (CID 628291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).