2-[4-[(3-methoxyphenyl)methoxy]phenoxy]-5-nitropyridine

C19H16N2O5 — CID 67576981

IUPAC2-[4-[(3-methoxyphenyl)methoxy]phenoxy]-5-nitropyridine
SMILESCOc1cccc(COc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1
InChIInChI=1S/C19H16N2O5/c1-24-18-4-2-3-14(11-18)13-25-16-6-8-17(9-7-16)26-19-10-5-15(12-20-19)21(22)23/h2-12H,13H2,1H3
InChIKeyQWFICIPXLZJJIV-UHFFFAOYSA-N
MW352.35 g/mol
LogP4.37
Rot. Bonds7

About 2-[4-[(3-methoxyphenyl)methoxy]phenoxy]-5-nitropyridine

2-[4-[(3-methoxyphenyl)methoxy]phenoxy]-5-nitropyridine (PubChem CID 67576981) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-[4-[(3-methoxyphenyl)methoxy]phenoxy]-5-nitropyridine.

Molecular Properties

Compound Name2-[4-[(3-methoxyphenyl)methoxy]phenoxy]-5-nitropyridine
PubChem CID67576981
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name2-[4-[(3-methoxyphenyl)methoxy]phenoxy]-5-nitropyridine
SMILESCOc1cccc(COc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1
InChIInChI=1S/C19H16N2O5/c1-24-18-4-2-3-14(11-18)13-25-16-6-8-17(9-7-16)26-19-10-5-15(12-20-19)21(22)23/h2-12H,13H2,1H3
InChIKeyQWFICIPXLZJJIV-UHFFFAOYSA-N
XLogP4.37
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 54.37
H-Bond Donors ≤ 50
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

5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine
CID 2798975
ethane;1-nitro-3-(phenoxymethyl)benzene
CID 142321514
2-bromo-1-[(3-methoxyphenyl)methoxy]-4-nitrobenzene
CID 23657937
1-nitro-3-[[3-[(3-nitrophenyl)methoxy]phenoxy]methyl]benzene
CID 3841290
5-[(3-methoxyphenyl)methoxy]-2-nitroaniline
CID 106751925
N-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline
CID 61027206
1-ethyl-3-[(3-nitrophenyl)methoxy]benzene
CID 60627241
1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene
CID 7707175
1-[[4-(4-methylphenyl)phenoxy]methyl]-3-nitrobenzene
CID 894550
2-[4-(1-bromoethyl)phenoxy]-5-nitropyridine;2-(4-ethylphenoxy)-5-nitropyridine
CID 161213807
N-methyl-1-[6-(3-nitrophenoxy)-3-pyridinyl]methanamine
CID 80633675
6-[(3-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 80631360

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methoxyphenyl)methoxy]phenoxy]-5-nitropyridine?
The IUPAC name of 2-[4-[(3-methoxyphenyl)methoxy]phenoxy]-5-nitropyridine (CID 67576981) is 2-[4-[(3-methoxyphenyl)methoxy]phenoxy]-5-nitropyridine.
What is the SMILES notation for 2-[4-[(3-methoxyphenyl)methoxy]phenoxy]-5-nitropyridine?
The canonical SMILES for 2-[4-[(3-methoxyphenyl)methoxy]phenoxy]-5-nitropyridine is COc1cccc(COc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1.
What is the InChIKey of 2-[4-[(3-methoxyphenyl)methoxy]phenoxy]-5-nitropyridine?
The InChIKey is QWFICIPXLZJJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-24-18-4-2-3-14(11-18)13-25-16-6-8-17(9-7-16)26-19-10-5-15(12-20-19)21(22)23/h2-12H,13H2,1H3.
What are the key properties of 2-[4-[(3-methoxyphenyl)methoxy]phenoxy]-5-nitropyridine?
2-[4-[(3-methoxyphenyl)methoxy]phenoxy]-5-nitropyridine has a molecular weight of 352.35 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methoxyphenyl)methoxy]phenoxy]-5-nitropyridine is sourced from PubChem (CID 67576981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).