N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine

C15H13F3N4O2 — CID 18269652

IUPACN-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESC/C(=N\Nc1ccc(C(F)(F)F)cn1)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13F3N4O2/c1-9-3-4-11(7-13(9)22(23)24)10(2)20-21-14-6-5-12(8-19-14)15(16,17)18/h3-8H,1-2H3,(H,19,21)/b20-10+
InChIKeyBYNJIHDQEAOUKF-KEBDBYFISA-N
MW338.29 g/mol
LogP4.15
Rot. Bonds4

About N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine

N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 18269652) has the molecular formula C15H13F3N4O2 and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID18269652
Molecular FormulaC15H13F3N4O2
Molecular Weight338.29 g/mol
Exact Mass338.10
IUPAC NameN-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESC/C(=N\Nc1ccc(C(F)(F)F)cn1)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13F3N4O2/c1-9-3-4-11(7-13(9)22(23)24)10(2)20-21-14-6-5-12(8-19-14)15(16,17)18/h3-8H,1-2H3,(H,19,21)/b20-10+
InChIKeyBYNJIHDQEAOUKF-KEBDBYFISA-N
XLogP4.15
TPSA80.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 7933237
N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]acetamide
CID 6272511
4-[N-[2,6-dinitro-4-(trifluoromethyl)anilino]-C-methylcarbonimidoyl]phenol
CID 4083422
(4-methyl-3-nitrophenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122247534
4-[C-methyl-N-[2-nitro-4-(trifluoromethyl)anilino]carbonimidoyl]phenol
CID 3257708
ethane;1-methyl-2-nitro-4-(trifluoromethyl)benzene
CID 142902784
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 6007515
4-bromo-2-nitro-6-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol
CID 137043402
2,6-dinitro-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-4-(trifluoromethyl)aniline
CID 4598117
3,4,5-triethoxy-N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]benzamide
CID 6055861
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 6138668
2-bromo-N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]benzamide
CID 6145272

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine (CID 18269652) is N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine is C/C(=N\Nc1ccc(C(F)(F)F)cn1)c1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BYNJIHDQEAOUKF-KEBDBYFISA-N. The full InChI is InChI=1S/C15H13F3N4O2/c1-9-3-4-11(7-13(9)22(23)24)10(2)20-21-14-6-5-12(8-19-14)15(16,17)18/h3-8H,1-2H3,(H,19,21)/b20-10+.
What are the key properties of N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 338.29 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 18269652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).