N,3-dimethyl-5-nitro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine

C15H14F3N3O3 — CID 56571107

IUPACN,3-dimethyl-5-nitro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1N(C)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H14F3N3O3/c1-10-7-12(21(22)23)8-19-14(10)20(2)9-11-5-3-4-6-13(11)24-15(16,17)18/h3-8H,9H2,1-2H3
InChIKeyNUYWHBNUWCGHGH-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.83
Rot. Bonds5

About N,3-dimethyl-5-nitro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine

N,3-dimethyl-5-nitro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine (PubChem CID 56571107) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is N,3-dimethyl-5-nitro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-5-nitro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine
PubChem CID56571107
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC NameN,3-dimethyl-5-nitro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1N(C)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H14F3N3O3/c1-10-7-12(21(22)23)8-19-14(10)20(2)9-11-5-3-4-6-13(11)24-15(16,17)18/h3-8H,9H2,1-2H3
InChIKeyNUYWHBNUWCGHGH-UHFFFAOYSA-N
XLogP3.83
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-nitro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine?
The IUPAC name of N,3-dimethyl-5-nitro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine (CID 56571107) is N,3-dimethyl-5-nitro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for N,3-dimethyl-5-nitro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for N,3-dimethyl-5-nitro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine is Cc1cc([N+](=O)[O-])cnc1N(C)Cc1ccccc1OC(F)(F)F.
What is the InChIKey of N,3-dimethyl-5-nitro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine?
The InChIKey is NUYWHBNUWCGHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c1-10-7-12(21(22)23)8-19-14(10)20(2)9-11-5-3-4-6-13(11)24-15(16,17)18/h3-8H,9H2,1-2H3.
What are the key properties of N,3-dimethyl-5-nitro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine?
N,3-dimethyl-5-nitro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine has a molecular weight of 341.29 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-nitro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 56571107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).