4-[(6-methoxy-3-nitro-2-pyridinyl)oxy]-N-methylaniline

C13H13N3O4 — CID 115323350

IUPAC4-[(6-methoxy-3-nitro-2-pyridinyl)oxy]-N-methylaniline
SMILESCNc1ccc(Oc2nc(OC)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H13N3O4/c1-14-9-3-5-10(6-4-9)20-13-11(16(17)18)7-8-12(15-13)19-2/h3-8,14H,1-2H3
InChIKeyIXGCBGRNRIBGNP-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.83
Rot. Bonds5

About 4-[(6-methoxy-3-nitro-2-pyridinyl)oxy]-N-methylaniline

4-[(6-methoxy-3-nitro-2-pyridinyl)oxy]-N-methylaniline (PubChem CID 115323350) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 4-[(6-methoxy-3-nitro-2-pyridinyl)oxy]-N-methylaniline.

Molecular Properties

Compound Name4-[(6-methoxy-3-nitro-2-pyridinyl)oxy]-N-methylaniline
PubChem CID115323350
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name4-[(6-methoxy-3-nitro-2-pyridinyl)oxy]-N-methylaniline
SMILESCNc1ccc(Oc2nc(OC)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H13N3O4/c1-14-9-3-5-10(6-4-9)20-13-11(16(17)18)7-8-12(15-13)19-2/h3-8,14H,1-2H3
InChIKeyIXGCBGRNRIBGNP-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

6-[4-(methylamino)phenoxy]-3-nitropyridin-2-amine
CID 79815870
N-methyl-6-(4-methylphenoxy)-5-nitropyridin-2-amine
CID 80862408
6-(4-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80869880
1-[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106485526
6-(4-ethylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80864419
2-(difluoromethoxy)-6-methoxy-3-nitropyridine
CID 153376192
2,4-bis(4-methoxyphenoxy)-5-nitropyrimidine
CID 58243049
[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]methanol
CID 107713456
2-(2-bromo-4-methylphenoxy)-6-methoxy-3-nitropyridine
CID 115321316
N-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline
CID 61027206
6-chloro-2-(3,5-dimethoxyphenoxy)-3-nitropyridine
CID 61038338
5-(5-methoxy-2-nitrophenoxy)-N-methylpyridin-3-amine
CID 102703875

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-3-nitro-2-pyridinyl)oxy]-N-methylaniline?
The IUPAC name of 4-[(6-methoxy-3-nitro-2-pyridinyl)oxy]-N-methylaniline (CID 115323350) is 4-[(6-methoxy-3-nitro-2-pyridinyl)oxy]-N-methylaniline.
What is the SMILES notation for 4-[(6-methoxy-3-nitro-2-pyridinyl)oxy]-N-methylaniline?
The canonical SMILES for 4-[(6-methoxy-3-nitro-2-pyridinyl)oxy]-N-methylaniline is CNc1ccc(Oc2nc(OC)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-[(6-methoxy-3-nitro-2-pyridinyl)oxy]-N-methylaniline?
The InChIKey is IXGCBGRNRIBGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-14-9-3-5-10(6-4-9)20-13-11(16(17)18)7-8-12(15-13)19-2/h3-8,14H,1-2H3.
What are the key properties of 4-[(6-methoxy-3-nitro-2-pyridinyl)oxy]-N-methylaniline?
4-[(6-methoxy-3-nitro-2-pyridinyl)oxy]-N-methylaniline 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 4-[(6-methoxy-3-nitro-2-pyridinyl)oxy]-N-methylaniline is sourced from PubChem (CID 115323350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).