6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridin-2-amine

C12H8F3N3O3 — CID 102719899

IUPAC6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(Oc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H8F3N3O3/c13-12(14,15)7-5-10(16)17-11(6-7)21-9-4-2-1-3-8(9)18(19)20/h1-6H,(H2,16,17)
InChIKeyJMBUFLLRUNYFFT-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.38
Rot. Bonds3

About 6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridin-2-amine

6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102719899) has the molecular formula C12H8F3N3O3 and a molecular weight of 299.21 g/mol. Its IUPAC name is 6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102719899
Molecular FormulaC12H8F3N3O3
Molecular Weight299.21 g/mol
Exact Mass299.05
IUPAC Name6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(Oc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H8F3N3O3/c13-12(14,15)7-5-10(16)17-11(6-7)21-9-4-2-1-3-8(9)18(19)20/h1-6H,(H2,16,17)
InChIKeyJMBUFLLRUNYFFT-UHFFFAOYSA-N
XLogP3.38
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.38
H-Bond Donors ≤ 51
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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Related Compounds

2-chloro-6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridine
CID 102715235
6-(2-nitrophenoxy)pyrimidine-2,4-diamine
CID 80875321
2-cyclopropyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80965952
6-(2-nitrophenoxy)-2-propylpyrimidin-4-amine
CID 80950579
6-(2-nitrophenoxy)pyridazin-3-amine
CID 14294312
2-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
CID 80875828
6-(5-fluoro-2-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102989067
2-tert-butyl-4-chloro-6-(2-nitrophenoxy)pyrimidine
CID 80943264
6-(2-bromophenoxy)-4-nitropyridin-2-amine
CID 114071337
6-(5-bromo-2-fluorophenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102720122
N,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875231
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711

Frequently Asked Questions

What is the IUPAC name of 6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridin-2-amine (CID 102719899) is 6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)cc(Oc2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of 6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is JMBUFLLRUNYFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O3/c13-12(14,15)7-5-10(16)17-11(6-7)21-9-4-2-1-3-8(9)18(19)20/h1-6H,(H2,16,17).
What are the key properties of 6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridin-2-amine?
6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 299.21 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102719899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).