5-(5-methoxy-2-nitrophenoxy)-N-methylpyridin-3-amine

C13H13N3O4 — CID 102703875

IUPAC5-(5-methoxy-2-nitrophenoxy)-N-methylpyridin-3-amine
SMILESCNc1cncc(Oc2cc(OC)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C13H13N3O4/c1-14-9-5-11(8-15-7-9)20-13-6-10(19-2)3-4-12(13)16(17)18/h3-8,14H,1-2H3
InChIKeyJKBVUSWBPBOFGN-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.83
Rot. Bonds5

About 5-(5-methoxy-2-nitrophenoxy)-N-methylpyridin-3-amine

5-(5-methoxy-2-nitrophenoxy)-N-methylpyridin-3-amine (PubChem CID 102703875) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 5-(5-methoxy-2-nitrophenoxy)-N-methylpyridin-3-amine.

Molecular Properties

Compound Name5-(5-methoxy-2-nitrophenoxy)-N-methylpyridin-3-amine
PubChem CID102703875
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name5-(5-methoxy-2-nitrophenoxy)-N-methylpyridin-3-amine
SMILESCNc1cncc(Oc2cc(OC)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C13H13N3O4/c1-14-9-5-11(8-15-7-9)20-13-6-10(19-2)3-4-12(13)16(17)18/h3-8,14H,1-2H3
InChIKeyJKBVUSWBPBOFGN-UHFFFAOYSA-N
XLogP2.83
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-methyl-5-(4-methyl-2-nitrophenoxy)pyridin-3-amine
CID 104536674
4-(5-chloro-2-nitrophenoxy)-N-methylaniline
CID 115471949
1-[2-(5-methoxy-2-nitrophenoxy)phenyl]-N-methylmethanamine
CID 102702889
4-(5-methoxy-2-nitrophenoxy)pyridin-2-amine
CID 102703861
1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 102702826
[4-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]hydrazine
CID 102703909
3-[4-(methylamino)phenoxy]-4-nitrobenzamide
CID 82992355
N-methyl-5-(3,4,5-trimethoxyphenoxy)pyridin-3-amine
CID 104537032
4-[(6-methoxy-3-nitro-2-pyridinyl)oxy]-N-methylaniline
CID 115323350
5-(2,6-dibromo-4-nitrophenoxy)-N-methylpyridin-3-amine
CID 104536753
5-(5-methoxy-2-nitrophenoxy)pyridine-2-carboximidamide
CID 102702745
3-methoxy-4-(5-methoxy-2-nitrophenoxy)phenol
CID 163522418

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-2-nitrophenoxy)-N-methylpyridin-3-amine?
The IUPAC name of 5-(5-methoxy-2-nitrophenoxy)-N-methylpyridin-3-amine (CID 102703875) is 5-(5-methoxy-2-nitrophenoxy)-N-methylpyridin-3-amine.
What is the SMILES notation for 5-(5-methoxy-2-nitrophenoxy)-N-methylpyridin-3-amine?
The canonical SMILES for 5-(5-methoxy-2-nitrophenoxy)-N-methylpyridin-3-amine is CNc1cncc(Oc2cc(OC)ccc2[N+](=O)[O-])c1.
What is the InChIKey of 5-(5-methoxy-2-nitrophenoxy)-N-methylpyridin-3-amine?
The InChIKey is JKBVUSWBPBOFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-14-9-5-11(8-15-7-9)20-13-6-10(19-2)3-4-12(13)16(17)18/h3-8,14H,1-2H3.
What are the key properties of 5-(5-methoxy-2-nitrophenoxy)-N-methylpyridin-3-amine?
5-(5-methoxy-2-nitrophenoxy)-N-methylpyridin-3-amine has a molecular weight of 275.26 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-2-nitrophenoxy)-N-methylpyridin-3-amine is sourced from PubChem (CID 102703875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).