1-[5-(2-fluoro-6-nitrophenoxy)-2-pyridinyl]ethanamine

C13H12FN3O3 — CID 104831856

IUPAC1-[5-(2-fluoro-6-nitrophenoxy)-2-pyridinyl]ethanamine
SMILESCC(N)c1ccc(Oc2c(F)cccc2[N+](=O)[O-])cn1
InChIInChI=1S/C13H12FN3O3/c1-8(15)11-6-5-9(7-16-11)20-13-10(14)3-2-4-12(13)17(18)19/h2-8H,15H2,1H3
InChIKeyJSICMTZOTVGQOV-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.94
Rot. Bonds4

About 1-[5-(2-fluoro-6-nitrophenoxy)-2-pyridinyl]ethanamine

1-[5-(2-fluoro-6-nitrophenoxy)-2-pyridinyl]ethanamine (PubChem CID 104831856) has the molecular formula C13H12FN3O3 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-[5-(2-fluoro-6-nitrophenoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[5-(2-fluoro-6-nitrophenoxy)-2-pyridinyl]ethanamine
PubChem CID104831856
Molecular FormulaC13H12FN3O3
Molecular Weight277.25 g/mol
Exact Mass277.09
IUPAC Name1-[5-(2-fluoro-6-nitrophenoxy)-2-pyridinyl]ethanamine
SMILESCC(N)c1ccc(Oc2c(F)cccc2[N+](=O)[O-])cn1
InChIInChI=1S/C13H12FN3O3/c1-8(15)11-6-5-9(7-16-11)20-13-10(14)3-2-4-12(13)17(18)19/h2-8H,15H2,1H3
InChIKeyJSICMTZOTVGQOV-UHFFFAOYSA-N
XLogP2.94
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.94
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

1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83123552
(1S)-1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-amine
CID 103938047
1-[4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol
CID 104831899
(1R)-1-[5-(4,5-dichloro-2-nitrophenoxy)-2-pyridinyl]ethanamine
CID 107500145
(1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine
CID 103201762
1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940584
1-[5-(2-chloro-6-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 107717322
(1R)-1-[5-(4-ethyl-2-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83111625
(1R)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125617
(1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]ethanamine
CID 103588798
(1R)-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83124262
1-(2-fluoro-6-nitrophenyl)ethanamine
CID 55282277

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluoro-6-nitrophenoxy)-2-pyridinyl]ethanamine?
The IUPAC name of 1-[5-(2-fluoro-6-nitrophenoxy)-2-pyridinyl]ethanamine (CID 104831856) is 1-[5-(2-fluoro-6-nitrophenoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[5-(2-fluoro-6-nitrophenoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[5-(2-fluoro-6-nitrophenoxy)-2-pyridinyl]ethanamine is CC(N)c1ccc(Oc2c(F)cccc2[N+](=O)[O-])cn1.
What is the InChIKey of 1-[5-(2-fluoro-6-nitrophenoxy)-2-pyridinyl]ethanamine?
The InChIKey is JSICMTZOTVGQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c1-8(15)11-6-5-9(7-16-11)20-13-10(14)3-2-4-12(13)17(18)19/h2-8H,15H2,1H3.
What are the key properties of 1-[5-(2-fluoro-6-nitrophenoxy)-2-pyridinyl]ethanamine?
1-[5-(2-fluoro-6-nitrophenoxy)-2-pyridinyl]ethanamine has a molecular weight of 277.25 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluoro-6-nitrophenoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 104831856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).