1-(2-chloro-3-methylphenyl)-N-methyl-1-[2-methylidene-5-(trifluoromethyl)-1-pyridinyl]methanimine

C16H14ClF3N2 — CID 142269353

IUPAC1-(2-chloro-3-methylphenyl)-N-methyl-1-[2-methylidene-5-(trifluoromethyl)-1-pyridinyl]methanimine
SMILESC=C1C=CC(C(F)(F)F)=CN1/C(=N/C)c1cccc(C)c1Cl
InChIInChI=1S/C16H14ClF3N2/c1-10-5-4-6-13(14(10)17)15(21-3)22-9-12(16(18,19)20)8-7-11(22)2/h4-9H,2H2,1,3H3/b21-15+
InChIKeyUWILKOSCJIGNQK-RCCKNPSSSA-N
MW326.75 g/mol
LogP4.86
Rot. Bonds1

About 1-(2-chloro-3-methylphenyl)-N-methyl-1-[2-methylidene-5-(trifluoromethyl)-1-pyridinyl]methanimine

1-(2-chloro-3-methylphenyl)-N-methyl-1-[2-methylidene-5-(trifluoromethyl)-1-pyridinyl]methanimine (PubChem CID 142269353) has the molecular formula C16H14ClF3N2 and a molecular weight of 326.75 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)-N-methyl-1-[2-methylidene-5-(trifluoromethyl)-1-pyridinyl]methanimine.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)-N-methyl-1-[2-methylidene-5-(trifluoromethyl)-1-pyridinyl]methanimine
PubChem CID142269353
Molecular FormulaC16H14ClF3N2
Molecular Weight326.75 g/mol
Exact Mass326.08
IUPAC Name1-(2-chloro-3-methylphenyl)-N-methyl-1-[2-methylidene-5-(trifluoromethyl)-1-pyridinyl]methanimine
SMILESC=C1C=CC(C(F)(F)F)=CN1/C(=N/C)c1cccc(C)c1Cl
InChIInChI=1S/C16H14ClF3N2/c1-10-5-4-6-13(14(10)17)15(21-3)22-9-12(16(18,19)20)8-7-11(22)2/h4-9H,2H2,1,3H3/b21-15+
InChIKeyUWILKOSCJIGNQK-RCCKNPSSSA-N
XLogP4.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.75
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(1-((2-Chlorophenyl)methyl)-2(1H)-pyridinylidene)cyanamide
CID 3077871
4-(2-chlorophenyl)-6-methyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 620577
4-(2-Chlorophenyl)-8-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
CID 1716774
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
7-bromo-4-(2-chlorophenyl)-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 45035421
N-[1-(2-chloro-6-fluorophenyl)ethenyl]-N'-ethenyl-N-methylethanimidamide
CID 90078159
5-Amino-1-benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]pyrimidin-4-one
CID 134565218
1-Benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-one
CID 134565322
1-Benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]-5-fluoropyrimidin-4-one
CID 134565323
1-Benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]pyrimidin-4-one
CID 134565332

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)-N-methyl-1-[2-methylidene-5-(trifluoromethyl)-1-pyridinyl]methanimine?
The IUPAC name of 1-(2-chloro-3-methylphenyl)-N-methyl-1-[2-methylidene-5-(trifluoromethyl)-1-pyridinyl]methanimine (CID 142269353) is 1-(2-chloro-3-methylphenyl)-N-methyl-1-[2-methylidene-5-(trifluoromethyl)-1-pyridinyl]methanimine.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)-N-methyl-1-[2-methylidene-5-(trifluoromethyl)-1-pyridinyl]methanimine?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)-N-methyl-1-[2-methylidene-5-(trifluoromethyl)-1-pyridinyl]methanimine is C=C1C=CC(C(F)(F)F)=CN1/C(=N/C)c1cccc(C)c1Cl.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)-N-methyl-1-[2-methylidene-5-(trifluoromethyl)-1-pyridinyl]methanimine?
The InChIKey is UWILKOSCJIGNQK-RCCKNPSSSA-N. The full InChI is InChI=1S/C16H14ClF3N2/c1-10-5-4-6-13(14(10)17)15(21-3)22-9-12(16(18,19)20)8-7-11(22)2/h4-9H,2H2,1,3H3/b21-15+.
What are the key properties of 1-(2-chloro-3-methylphenyl)-N-methyl-1-[2-methylidene-5-(trifluoromethyl)-1-pyridinyl]methanimine?
1-(2-chloro-3-methylphenyl)-N-methyl-1-[2-methylidene-5-(trifluoromethyl)-1-pyridinyl]methanimine has a molecular weight of 326.75 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-methylphenyl)-N-methyl-1-[2-methylidene-5-(trifluoromethyl)-1-pyridinyl]methanimine is sourced from PubChem (CID 142269353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).