5-[(2-methoxy-4-nitrophenoxy)methyl]-2-methylpyridine

C14H14N2O4 — CID 162519959

IUPAC5-[(2-methoxy-4-nitrophenoxy)methyl]-2-methylpyridine
SMILESCOc1cc([N+](=O)[O-])ccc1OCc1ccc(C)nc1
InChIInChI=1S/C14H14N2O4/c1-10-3-4-11(8-15-10)9-20-13-6-5-12(16(17)18)7-14(13)19-2/h3-8H,9H2,1-2H3
InChIKeyQBQKALTWQLVQLQ-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.89
Rot. Bonds5

About 5-[(2-methoxy-4-nitrophenoxy)methyl]-2-methylpyridine

5-[(2-methoxy-4-nitrophenoxy)methyl]-2-methylpyridine (PubChem CID 162519959) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-[(2-methoxy-4-nitrophenoxy)methyl]-2-methylpyridine.

Molecular Properties

Compound Name5-[(2-methoxy-4-nitrophenoxy)methyl]-2-methylpyridine
PubChem CID162519959
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name5-[(2-methoxy-4-nitrophenoxy)methyl]-2-methylpyridine
SMILESCOc1cc([N+](=O)[O-])ccc1OCc1ccc(C)nc1
InChIInChI=1S/C14H14N2O4/c1-10-3-4-11(8-15-10)9-20-13-6-5-12(16(17)18)7-14(13)19-2/h3-8H,9H2,1-2H3
InChIKeyQBQKALTWQLVQLQ-UHFFFAOYSA-N
XLogP2.89
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
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

2-[(2-methoxy-4-nitrophenoxy)methyl]-5-methylpyrazine
CID 162519884
2-chloro-5-[(2-methoxy-4-nitrophenoxy)methyl]-1,3-thiazole
CID 79765252
2-methoxy-4-nitro-1-propoxybenzene
CID 131858212
5-[(2-methoxy-4-nitrophenoxy)methyl]-1H-pyrazole
CID 162519870
bis[2-[(6-methyl-3-pyridinyl)methyl]-4-nitrophenyl] carbonate
CID 141265764
1-(2-chloroethoxy)-2-methoxy-4-nitrobenzene
CID 22326897
1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene
CID 142794424
2,6-dichloro-3-[(2-methoxy-4-nitrophenoxy)methyl]pyridine
CID 106994569
2-chloro-5-[(2-methoxy-4-nitrophenoxy)methyl]-1,3,4-thiadiazole
CID 80607055
trifluoro-[(2-methoxy-4-nitrophenoxy)methyl]boranuide
CID 63703665
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-6-nitro-1H-benzimidazole
CID 110533146
N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 46511382

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-4-nitrophenoxy)methyl]-2-methylpyridine?
The IUPAC name of 5-[(2-methoxy-4-nitrophenoxy)methyl]-2-methylpyridine (CID 162519959) is 5-[(2-methoxy-4-nitrophenoxy)methyl]-2-methylpyridine.
What is the SMILES notation for 5-[(2-methoxy-4-nitrophenoxy)methyl]-2-methylpyridine?
The canonical SMILES for 5-[(2-methoxy-4-nitrophenoxy)methyl]-2-methylpyridine is COc1cc([N+](=O)[O-])ccc1OCc1ccc(C)nc1.
What is the InChIKey of 5-[(2-methoxy-4-nitrophenoxy)methyl]-2-methylpyridine?
The InChIKey is QBQKALTWQLVQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-10-3-4-11(8-15-10)9-20-13-6-5-12(16(17)18)7-14(13)19-2/h3-8H,9H2,1-2H3.
What are the key properties of 5-[(2-methoxy-4-nitrophenoxy)methyl]-2-methylpyridine?
5-[(2-methoxy-4-nitrophenoxy)methyl]-2-methylpyridine has a molecular weight of 274.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-4-nitrophenoxy)methyl]-2-methylpyridine is sourced from PubChem (CID 162519959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).