4-(2-chlorophenyl)-6-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine

C16H10ClF6N3 — CID 620577

IUPAC4-(2-chlorophenyl)-6-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESCC1=CC=CC2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3ccccc3Cl)N12
InChIInChI=1S/C16H10ClF6N3/c1-9-5-4-8-12-24-14(15(18,19)20,16(21,22)23)25-13(26(9)12)10-6-2-3-7-11(10)17/h2-8H,1H3
InChIKeyNMMPEJTYTIIXJR-UHFFFAOYSA-N
MW393.72 g/mol
LogP5.10
Rot. Bonds1

About 4-(2-chlorophenyl)-6-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine

4-(2-chlorophenyl)-6-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (PubChem CID 620577) has the molecular formula C16H10ClF6N3 and a molecular weight of 393.72 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-6-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-6-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
PubChem CID620577
Molecular FormulaC16H10ClF6N3
Molecular Weight393.72 g/mol
Exact Mass393.05
IUPAC Name4-(2-chlorophenyl)-6-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESCC1=CC=CC2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3ccccc3Cl)N12
InChIInChI=1S/C16H10ClF6N3/c1-9-5-4-8-12-24-14(15(18,19)20,16(21,22)23)25-13(26(9)12)10-6-2-3-7-11(10)17/h2-8H,1H3
InChIKeyNMMPEJTYTIIXJR-UHFFFAOYSA-N
XLogP5.10
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.72
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-Chloro-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 574594
4-(4-fluorophenyl)-6-methyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 564340
7,9-dichloro-4-(4-chlorophenyl)-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 628291
6-methyl-4-phenyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 1046750
4-(2-Chlorophenyl)-8-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
CID 1716774
6-methyl-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 4123858
4-(4-Chlorophenyl)-9-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
CID 1716773
4-(4-chlorophenyl)-7-methyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 1716775
4-(4-Chlorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
CID 1717045
8-methyl-4-phenyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 4160475
7-bromo-4-(2-chlorophenyl)-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 45035421
4-(4-fluorophenyl)-6,8-dimethyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 571891

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-6-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The IUPAC name of 4-(2-chlorophenyl)-6-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (CID 620577) is 4-(2-chlorophenyl)-6-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.
What is the SMILES notation for 4-(2-chlorophenyl)-6-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The canonical SMILES for 4-(2-chlorophenyl)-6-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is CC1=CC=CC2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3ccccc3Cl)N12.
What is the InChIKey of 4-(2-chlorophenyl)-6-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The InChIKey is NMMPEJTYTIIXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF6N3/c1-9-5-4-8-12-24-14(15(18,19)20,16(21,22)23)25-13(26(9)12)10-6-2-3-7-11(10)17/h2-8H,1H3.
What are the key properties of 4-(2-chlorophenyl)-6-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
4-(2-chlorophenyl)-6-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine has a molecular weight of 393.72 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-6-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is sourced from PubChem (CID 620577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).