5-nitro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridin-2-amine

C13H11F3N4O3 — CID 133398666

IUPAC5-nitro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCCOc2ncccc2C(F)(F)F)nc1
InChIInChI=1S/C13H11F3N4O3/c14-13(15,16)10-2-1-5-18-12(10)23-7-6-17-11-4-3-9(8-19-11)20(21)22/h1-5,8H,6-7H2,(H,17,19)
InChIKeyHODGXYDUMHLZST-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.89
Rot. Bonds6

About 5-nitro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridin-2-amine

5-nitro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridin-2-amine (PubChem CID 133398666) has the molecular formula C13H11F3N4O3 and a molecular weight of 328.25 g/mol. Its IUPAC name is 5-nitro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridin-2-amine
PubChem CID133398666
Molecular FormulaC13H11F3N4O3
Molecular Weight328.25 g/mol
Exact Mass328.08
IUPAC Name5-nitro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCCOc2ncccc2C(F)(F)F)nc1
InChIInChI=1S/C13H11F3N4O3/c14-13(15,16)10-2-1-5-18-12(10)23-7-6-17-11-4-3-9(8-19-11)20(21)22/h1-5,8H,6-7H2,(H,17,19)
InChIKeyHODGXYDUMHLZST-UHFFFAOYSA-N
XLogP2.89
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

4-nitro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]aniline
CID 133398696
N-[2-(2-fluorophenoxy)ethyl]-5-nitropyridin-2-amine
CID 16560906
3-nitro-4-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]benzonitrile
CID 133398771
6-chloro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrazin-2-amine
CID 133398708
5-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-2-amine
CID 133423721
N-(5-nitro-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 174438257
N-(2-naphthalen-2-yloxyethyl)-5-nitropyridin-2-amine
CID 26448348
N-[3-(2-methoxyethoxy)propyl]-5-nitropyridin-2-amine
CID 103604260
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;hydrochloride
CID 141044426
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride
CID 141018206
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;pyridin-2-ylmethanamine
CID 67561666

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridin-2-amine?
The IUPAC name of 5-nitro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridin-2-amine (CID 133398666) is 5-nitro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridin-2-amine.
What is the SMILES notation for 5-nitro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridin-2-amine?
The canonical SMILES for 5-nitro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridin-2-amine is O=[N+]([O-])c1ccc(NCCOc2ncccc2C(F)(F)F)nc1.
What is the InChIKey of 5-nitro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridin-2-amine?
The InChIKey is HODGXYDUMHLZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O3/c14-13(15,16)10-2-1-5-18-12(10)23-7-6-17-11-4-3-9(8-19-11)20(21)22/h1-5,8H,6-7H2,(H,17,19).
What are the key properties of 5-nitro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridin-2-amine?
5-nitro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridin-2-amine has a molecular weight of 328.25 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridin-2-amine is sourced from PubChem (CID 133398666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).