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

C15H7BrClF6N3 — CID 45035421

IUPAC7-bromo-4-(2-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESFC(F)(F)C1(C(F)(F)F)N=C2C=CC(Br)=CN2C(c2ccccc2Cl)=N1
InChIInChI=1S/C15H7BrClF6N3/c16-8-5-6-11-24-13(14(18,19)20,15(21,22)23)25-12(26(11)7-8)9-3-1-2-4-10(9)17/h1-7H
InChIKeyGJEUYZGUWNGFHB-UHFFFAOYSA-N
MW458.59 g/mol
LogP5.43
Rot. Bonds1

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

7-bromo-4-(2-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (PubChem CID 45035421) has the molecular formula C15H7BrClF6N3 and a molecular weight of 458.59 g/mol. Its IUPAC name is 7-bromo-4-(2-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.

Molecular Properties

Compound Name7-bromo-4-(2-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
PubChem CID45035421
Molecular FormulaC15H7BrClF6N3
Molecular Weight458.59 g/mol
Exact Mass456.94
IUPAC Name7-bromo-4-(2-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESFC(F)(F)C1(C(F)(F)F)N=C2C=CC(Br)=CN2C(c2ccccc2Cl)=N1
InChIInChI=1S/C15H7BrClF6N3/c16-8-5-6-11-24-13(14(18,19)20,15(21,22)23)25-12(26(11)7-8)9-3-1-2-4-10(9)17/h1-7H
InChIKeyGJEUYZGUWNGFHB-UHFFFAOYSA-N
XLogP5.43
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.59
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-(2-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The IUPAC name of 7-bromo-4-(2-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (CID 45035421) is 7-bromo-4-(2-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.
What is the SMILES notation for 7-bromo-4-(2-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The canonical SMILES for 7-bromo-4-(2-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is FC(F)(F)C1(C(F)(F)F)N=C2C=CC(Br)=CN2C(c2ccccc2Cl)=N1.
What is the InChIKey of 7-bromo-4-(2-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The InChIKey is GJEUYZGUWNGFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrClF6N3/c16-8-5-6-11-24-13(14(18,19)20,15(21,22)23)25-12(26(11)7-8)9-3-1-2-4-10(9)17/h1-7H.
What are the key properties of 7-bromo-4-(2-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
7-bromo-4-(2-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine has a molecular weight of 458.59 g/mol, XLogP of 5.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-(2-chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is sourced from PubChem (CID 45035421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).