2-[4-[(4-nitro-2-pyridinyl)oxy]phenyl]ethanamine

C13H13N3O3 — CID 65362426

IUPAC2-[4-[(4-nitro-2-pyridinyl)oxy]phenyl]ethanamine
SMILESNCCc1ccc(Oc2cc([N+](=O)[O-])ccn2)cc1
InChIInChI=1S/C13H13N3O3/c14-7-5-10-1-3-12(4-2-10)19-13-9-11(16(17)18)6-8-15-13/h1-4,6,8-9H,5,7,14H2
InChIKeyMOVKCGZLVALHOY-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.28
Rot. Bonds5

About 2-[4-[(4-nitro-2-pyridinyl)oxy]phenyl]ethanamine

2-[4-[(4-nitro-2-pyridinyl)oxy]phenyl]ethanamine (PubChem CID 65362426) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[4-[(4-nitro-2-pyridinyl)oxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(4-nitro-2-pyridinyl)oxy]phenyl]ethanamine
PubChem CID65362426
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name2-[4-[(4-nitro-2-pyridinyl)oxy]phenyl]ethanamine
SMILESNCCc1ccc(Oc2cc([N+](=O)[O-])ccn2)cc1
InChIInChI=1S/C13H13N3O3/c14-7-5-10-1-3-12(4-2-10)19-13-9-11(16(17)18)6-8-15-13/h1-4,6,8-9H,5,7,14H2
InChIKeyMOVKCGZLVALHOY-UHFFFAOYSA-N
XLogP2.28
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.28
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-(3-bromo-4-fluorophenoxy)-4-nitropyridine
CID 83234948
2-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]ethanamine
CID 142384195
[3-[(4-nitro-2-pyridinyl)oxy]phenyl]methanol
CID 79869655
2-[4-(3-methoxy-5-nitrophenoxy)phenyl]ethanamine
CID 80742831
2-[2-(4-chlorophenoxy)-4-pyridinyl]ethanamine
CID 141407855
2-(2-phenoxy-4-pyridinyl)ethanamine
CID 154870139
1-(4-nitrophenoxy)-4-[2-[4-(4-nitrophenoxy)phenyl]ethyl]benzene
CID 139816663
3-[(4-nitro-2-pyridinyl)oxy]benzoic acid
CID 55207487
2-[4-(3-nitrophenyl)phenyl]ethanamine
CID 54428619
(4-nitro-2-pyridinyl)methanamine;dihydrochloride
CID 131844591
[4-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920432
2-(4-quinoxalin-2-yloxyphenyl)ethanamine
CID 62360984

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-nitro-2-pyridinyl)oxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[(4-nitro-2-pyridinyl)oxy]phenyl]ethanamine (CID 65362426) is 2-[4-[(4-nitro-2-pyridinyl)oxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[(4-nitro-2-pyridinyl)oxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[(4-nitro-2-pyridinyl)oxy]phenyl]ethanamine is NCCc1ccc(Oc2cc([N+](=O)[O-])ccn2)cc1.
What is the InChIKey of 2-[4-[(4-nitro-2-pyridinyl)oxy]phenyl]ethanamine?
The InChIKey is MOVKCGZLVALHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c14-7-5-10-1-3-12(4-2-10)19-13-9-11(16(17)18)6-8-15-13/h1-4,6,8-9H,5,7,14H2.
What are the key properties of 2-[4-[(4-nitro-2-pyridinyl)oxy]phenyl]ethanamine?
2-[4-[(4-nitro-2-pyridinyl)oxy]phenyl]ethanamine has a molecular weight of 259.26 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-nitro-2-pyridinyl)oxy]phenyl]ethanamine is sourced from PubChem (CID 65362426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).