3-[2-(4-methoxyphenoxy)ethoxy]-6-methyl-2-nitropyridine

C15H16N2O5 — CID 4817566

IUPAC3-[2-(4-methoxyphenoxy)ethoxy]-6-methyl-2-nitropyridine
SMILESCOc1ccc(OCCOc2ccc(C)nc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H16N2O5/c1-11-3-8-14(15(16-11)17(18)19)22-10-9-21-13-6-4-12(20-2)5-7-13/h3-8H,9-10H2,1-2H3
InChIKeyRBCUVQVROOQHQC-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.76
Rot. Bonds7

About 3-[2-(4-methoxyphenoxy)ethoxy]-6-methyl-2-nitropyridine

3-[2-(4-methoxyphenoxy)ethoxy]-6-methyl-2-nitropyridine (PubChem CID 4817566) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenoxy)ethoxy]-6-methyl-2-nitropyridine.

Molecular Properties

Compound Name3-[2-(4-methoxyphenoxy)ethoxy]-6-methyl-2-nitropyridine
PubChem CID4817566
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name3-[2-(4-methoxyphenoxy)ethoxy]-6-methyl-2-nitropyridine
SMILESCOc1ccc(OCCOc2ccc(C)nc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H16N2O5/c1-11-3-8-14(15(16-11)17(18)19)22-10-9-21-13-6-4-12(20-2)5-7-13/h3-8H,9-10H2,1-2H3
InChIKeyRBCUVQVROOQHQC-UHFFFAOYSA-N
XLogP2.76
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-2-nitro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine
CID 2800218
6-Methyl-3-[(4-methylbenzyl)oxy]-2-nitropyridine
CID 2800220
2-[(6-Methyl-2-nitro-3-pyridinyl)oxy]-1-(2-methylpiperidin-1-yl)ethanone
CID 3507387
6-Methyl-2-nitro-3-[(4-nitrophenyl)methoxy]pyridine
CID 3920507
1-(2,6-Dimethylmorpholin-4-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
CID 4044166
N-(4-fluorophenyl)-2-(6-methyl-2-nitropyridin-3-yl)oxypropanamide
CID 4817377
3-[(2-Bromophenyl)methoxy]-6-methyl-2-nitropyridine
CID 16329444
6-Methyl-2-nitro-3-[(4-phenylphenyl)methoxy]pyridine
CID 16332535
3-[2-(2,4-Dichlorophenoxy)ethoxy]-6-methyl-2-nitropyridine
CID 4780551
N-(4-fluorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 4817366
N-benzyl-N-methyl-2-(6-methyl-2-nitropyridin-3-yl)oxyacetamide
CID 4818072
3-[2-(2-Bromo-4-chlorophenoxy)ethoxy]-6-methyl-2-nitropyridine
CID 33291425

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenoxy)ethoxy]-6-methyl-2-nitropyridine?
The IUPAC name of 3-[2-(4-methoxyphenoxy)ethoxy]-6-methyl-2-nitropyridine (CID 4817566) is 3-[2-(4-methoxyphenoxy)ethoxy]-6-methyl-2-nitropyridine.
What is the SMILES notation for 3-[2-(4-methoxyphenoxy)ethoxy]-6-methyl-2-nitropyridine?
The canonical SMILES for 3-[2-(4-methoxyphenoxy)ethoxy]-6-methyl-2-nitropyridine is COc1ccc(OCCOc2ccc(C)nc2[N+](=O)[O-])cc1.
What is the InChIKey of 3-[2-(4-methoxyphenoxy)ethoxy]-6-methyl-2-nitropyridine?
The InChIKey is RBCUVQVROOQHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-11-3-8-14(15(16-11)17(18)19)22-10-9-21-13-6-4-12(20-2)5-7-13/h3-8H,9-10H2,1-2H3.
What are the key properties of 3-[2-(4-methoxyphenoxy)ethoxy]-6-methyl-2-nitropyridine?
3-[2-(4-methoxyphenoxy)ethoxy]-6-methyl-2-nitropyridine has a molecular weight of 304.30 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenoxy)ethoxy]-6-methyl-2-nitropyridine is sourced from PubChem (CID 4817566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).