1-[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine

C14H15N3O4 — CID 106485526

IUPAC1-[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Oc1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O4/c1-15-9-10-5-3-4-6-12(10)21-14-11(17(18)19)7-8-13(16-14)20-2/h3-8,15H,9H2,1-2H3
InChIKeyNUVUWMCTQTVYPC-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.51
Rot. Bonds6

About 1-[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine

1-[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine (PubChem CID 106485526) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 1-[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
PubChem CID106485526
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name1-[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Oc1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O4/c1-15-9-10-5-3-4-6-12(10)21-14-11(17(18)19)7-8-13(16-14)20-2/h3-8,15H,9H2,1-2H3
InChIKeyNUVUWMCTQTVYPC-UHFFFAOYSA-N
XLogP2.51
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.51
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

[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]methanol
CID 107713456
6-[2-(methylaminomethyl)phenoxy]-3-nitropyridin-2-amine
CID 106485412
1-[2-(5-methoxy-2-nitrophenoxy)phenyl]-N-methylmethanamine
CID 102702889
6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 79881497
1-[2-(5-bromo-2-nitrophenoxy)phenyl]-N-methylmethanamine
CID 106485401
4-[(6-methoxy-3-nitro-2-pyridinyl)oxy]-N-methylaniline
CID 115323350
N-methyl-1-[2-(4-nitrophenoxy)phenyl]methanamine
CID 54915610
2-(2-bromo-4-methylphenoxy)-6-methoxy-3-nitropyridine
CID 115321316
2-(difluoromethoxy)-6-methoxy-3-nitropyridine
CID 153376192
6-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 63591480
2-(2-chlorophenyl)-N-(6-methoxy-3-nitro-2-pyridinyl)acetamide
CID 141373266
1-[2-(2-ethylphenoxy)phenyl]-N-methylmethanamine
CID 43283795

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine (CID 106485526) is 1-[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine is CNCc1ccccc1Oc1nc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of 1-[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine?
The InChIKey is NUVUWMCTQTVYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-15-9-10-5-3-4-6-12(10)21-14-11(17(18)19)7-8-13(16-14)20-2/h3-8,15H,9H2,1-2H3.
What are the key properties of 1-[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine?
1-[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine has a molecular weight of 289.29 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 106485526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).