[5-(4-nitrophenoxy)-3-pyridinyl]methanamine

C12H11N3O3 — CID 113469595

IUPAC[5-(4-nitrophenoxy)-3-pyridinyl]methanamine
SMILESNCc1cncc(Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C12H11N3O3/c13-6-9-5-12(8-14-7-9)18-11-3-1-10(2-4-11)15(16)17/h1-5,7-8H,6,13H2
InChIKeyACXIOEJMVGFWJD-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.24
Rot. Bonds4

About [5-(4-nitrophenoxy)-3-pyridinyl]methanamine

[5-(4-nitrophenoxy)-3-pyridinyl]methanamine (PubChem CID 113469595) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is [5-(4-nitrophenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(4-nitrophenoxy)-3-pyridinyl]methanamine
PubChem CID113469595
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name[5-(4-nitrophenoxy)-3-pyridinyl]methanamine
SMILESNCc1cncc(Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C12H11N3O3/c13-6-9-5-12(8-14-7-9)18-11-3-1-10(2-4-11)15(16)17/h1-5,7-8H,6,13H2
InChIKeyACXIOEJMVGFWJD-UHFFFAOYSA-N
XLogP2.24
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.24
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

methyl 5-(4-nitrophenoxy)pyridine-3-carboxylate
CID 22040734
1-(4-nitrophenoxy)-4-[2-[4-(4-nitrophenoxy)phenyl]ethyl]benzene
CID 139816663
[5-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methanamine
CID 113469610
1-ethyl-3-(4-nitrophenoxy)benzene
CID 22968899
[4-(2-methoxy-4-nitrophenoxy)phenyl]methanamine
CID 62110461
2-[4-(4-nitrophenoxy)pyrazol-1-yl]ethanamine;hydrochloride
CID 166174646
[3-fluoro-5-(4-nitrophenoxy)phenyl]methanol
CID 106530170
[5-(3-ethoxyphenoxy)-3-pyridinyl]methanamine
CID 113469599
4-[4-(aminomethyl)phenoxy]-2-nitrobenzonitrile
CID 106485588
[4-(aminomethyl)phenyl] 4-nitrobenzenesulfonate
CID 54228698
5-(4-nitrophenoxy)pyridine-2-carbonitrile
CID 115487944
2,4,6-tris[4-(4-nitrophenoxy)phenyl]pyridine
CID 71623316

Frequently Asked Questions

What is the IUPAC name of [5-(4-nitrophenoxy)-3-pyridinyl]methanamine?
The IUPAC name of [5-(4-nitrophenoxy)-3-pyridinyl]methanamine (CID 113469595) is [5-(4-nitrophenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-(4-nitrophenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [5-(4-nitrophenoxy)-3-pyridinyl]methanamine is NCc1cncc(Oc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of [5-(4-nitrophenoxy)-3-pyridinyl]methanamine?
The InChIKey is ACXIOEJMVGFWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c13-6-9-5-12(8-14-7-9)18-11-3-1-10(2-4-11)15(16)17/h1-5,7-8H,6,13H2.
What are the key properties of [5-(4-nitrophenoxy)-3-pyridinyl]methanamine?
[5-(4-nitrophenoxy)-3-pyridinyl]methanamine has a molecular weight of 245.24 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-nitrophenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 113469595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).