2-(5-fluoro-2-nitrophenoxy)pyridin-3-amine

C11H8FN3O3 — CID 114051796

IUPAC2-(5-fluoro-2-nitrophenoxy)pyridin-3-amine
SMILESNc1cccnc1Oc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H8FN3O3/c12-7-3-4-9(15(16)17)10(6-7)18-11-8(13)2-1-5-14-11/h1-6H,13H2
InChIKeyUGZCIBAEMPBXIN-UHFFFAOYSA-N
MW249.20 g/mol
LogP2.50
Rot. Bonds3

About 2-(5-fluoro-2-nitrophenoxy)pyridin-3-amine

2-(5-fluoro-2-nitrophenoxy)pyridin-3-amine (PubChem CID 114051796) has the molecular formula C11H8FN3O3 and a molecular weight of 249.20 g/mol. Its IUPAC name is 2-(5-fluoro-2-nitrophenoxy)pyridin-3-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-nitrophenoxy)pyridin-3-amine
PubChem CID114051796
Molecular FormulaC11H8FN3O3
Molecular Weight249.20 g/mol
Exact Mass249.05
IUPAC Name2-(5-fluoro-2-nitrophenoxy)pyridin-3-amine
SMILESNc1cccnc1Oc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H8FN3O3/c12-7-3-4-9(15(16)17)10(6-7)18-11-8(13)2-1-5-14-11/h1-6H,13H2
InChIKeyUGZCIBAEMPBXIN-UHFFFAOYSA-N
XLogP2.50
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 52.50
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-(4-methyl-2-nitrophenoxy)pyridin-3-amine
CID 114051805
3-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 62701072
3-fluoro-2-(5-fluoro-2-nitrophenoxy)pyridine-4-carboxylic acid
CID 105380022
5-(5-fluoro-2-nitrophenoxy)pyrazin-2-amine
CID 80663467
3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine
CID 160580310
4-fluoro-2-[3-(5-fluoro-2-nitrophenoxy)propoxy]-1-nitrobenzene
CID 7533666
3-bromo-2-(5-fluoro-2-nitrophenoxy)-5-methylpyridine
CID 105368287
[6-(5-fluoro-2-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920512
5-bromo-2-chloro-4-(5-fluoro-2-nitrophenoxy)pyrimidine
CID 79075513
5-chloro-4-(5-fluoro-2-nitrophenoxy)-1H-pyrimidin-6-one
CID 114676307
4-fluoro-2-[2-(2-methylphenoxy)ethoxy]-1-nitrobenzene
CID 112787536
3,5-dichloro-6-(5-fluoro-2-nitrophenoxy)-N-methylpyridin-2-amine
CID 102760813

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-nitrophenoxy)pyridin-3-amine?
The IUPAC name of 2-(5-fluoro-2-nitrophenoxy)pyridin-3-amine (CID 114051796) is 2-(5-fluoro-2-nitrophenoxy)pyridin-3-amine.
What is the SMILES notation for 2-(5-fluoro-2-nitrophenoxy)pyridin-3-amine?
The canonical SMILES for 2-(5-fluoro-2-nitrophenoxy)pyridin-3-amine is Nc1cccnc1Oc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(5-fluoro-2-nitrophenoxy)pyridin-3-amine?
The InChIKey is UGZCIBAEMPBXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O3/c12-7-3-4-9(15(16)17)10(6-7)18-11-8(13)2-1-5-14-11/h1-6H,13H2.
What are the key properties of 2-(5-fluoro-2-nitrophenoxy)pyridin-3-amine?
2-(5-fluoro-2-nitrophenoxy)pyridin-3-amine has a molecular weight of 249.20 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-nitrophenoxy)pyridin-3-amine is sourced from PubChem (CID 114051796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).