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

C10H6BrF6N3 — CID 45034112

IUPAC7-bromo-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESCC1=NC(C(F)(F)F)(C(F)(F)F)N=C2C=CC(Br)=CN12
InChIInChI=1S/C10H6BrF6N3/c1-5-18-8(9(12,13)14,10(15,16)17)19-7-3-2-6(11)4-20(5)7/h2-4H,1H3
InChIKeyBSZUDQOLJABCIE-UHFFFAOYSA-N
MW362.07 g/mol
LogP3.75
Rot. Bonds

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

7-bromo-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (PubChem CID 45034112) has the molecular formula C10H6BrF6N3 and a molecular weight of 362.07 g/mol. Its IUPAC name is 7-bromo-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.

Molecular Properties

Compound Name7-bromo-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
PubChem CID45034112
Molecular FormulaC10H6BrF6N3
Molecular Weight362.07 g/mol
Exact Mass360.96
IUPAC Name7-bromo-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESCC1=NC(C(F)(F)F)(C(F)(F)F)N=C2C=CC(Br)=CN12
InChIInChI=1S/C10H6BrF6N3/c1-5-18-8(9(12,13)14,10(15,16)17)19-7-3-2-6(11)4-20(5)7/h2-4H,1H3
InChIKeyBSZUDQOLJABCIE-UHFFFAOYSA-N
XLogP3.75
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.07
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The IUPAC name of 7-bromo-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (CID 45034112) is 7-bromo-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.
What is the SMILES notation for 7-bromo-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The canonical SMILES for 7-bromo-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is CC1=NC(C(F)(F)F)(C(F)(F)F)N=C2C=CC(Br)=CN12.
What is the InChIKey of 7-bromo-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The InChIKey is BSZUDQOLJABCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF6N3/c1-5-18-8(9(12,13)14,10(15,16)17)19-7-3-2-6(11)4-20(5)7/h2-4H,1H3.
What are the key properties of 7-bromo-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
7-bromo-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine has a molecular weight of 362.07 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is sourced from PubChem (CID 45034112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).