N-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline

C12H11N3O3 — CID 61027206

IUPACN-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline
SMILESCNc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C12H11N3O3/c1-13-9-2-5-11(6-3-9)18-12-7-4-10(8-14-12)15(16)17/h2-8,13H,1H3
InChIKeyCPWYQULBYJGWBR-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.82
Rot. Bonds4

About N-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline

N-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline (PubChem CID 61027206) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline.

Molecular Properties

Compound NameN-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline
PubChem CID61027206
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC NameN-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline
SMILESCNc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C12H11N3O3/c1-13-9-2-5-11(6-3-9)18-12-7-4-10(8-14-12)15(16)17/h2-8,13H,1H3
InChIKeyCPWYQULBYJGWBR-UHFFFAOYSA-N
XLogP2.82
TPSA77.29 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 ≤ 52.82
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

5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine
CID 2798975
4-nitro-N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]aniline
CID 7329141
2-[4-[(5-nitro-2-pyridinyl)oxy]phenoxy]-5-(trifluoromethyl)pyridine
CID 2741453
2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]propan-2-yl]phenoxy]-5-nitropyridine
CID 132567219
6-[4-(methylamino)phenoxy]-3-nitropyridin-2-amine
CID 79815870
2-[4-(1-bromoethyl)phenoxy]-5-nitropyridine;2-(4-ethylphenoxy)-5-nitropyridine
CID 161213807
4-fluoro-N-methyl-N-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]benzenesulfonamide
CID 31244284
6-[(5-nitro-2-pyridinyl)oxy]quinoline
CID 47082227
4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-1,3-thiazole
CID 175203508
N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 54593529
2-(2,6-dimethylphenoxy)-5-nitropyridine
CID 12675956
2-[4-[(3-methoxyphenyl)methoxy]phenoxy]-5-nitropyridine
CID 67576981

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline?
The IUPAC name of N-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline (CID 61027206) is N-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline.
What is the SMILES notation for N-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline?
The canonical SMILES for N-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline is CNc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of N-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline?
The InChIKey is CPWYQULBYJGWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-13-9-2-5-11(6-3-9)18-12-7-4-10(8-14-12)15(16)17/h2-8,13H,1H3.
What are the key properties of N-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline?
N-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline has a molecular weight of 245.24 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline is sourced from PubChem (CID 61027206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).