3-[(2-ethyl-6-nitrophenyl)methoxy]-2-methylpyridine

C15H16N2O3 — CID 144784299

IUPAC3-[(2-ethyl-6-nitrophenyl)methoxy]-2-methylpyridine
SMILESCCc1cccc([N+](=O)[O-])c1COc1cccnc1C
InChIInChI=1S/C15H16N2O3/c1-3-12-6-4-7-14(17(18)19)13(12)10-20-15-8-5-9-16-11(15)2/h4-9H,3,10H2,1-2H3
InChIKeyJPUUYBCTZHYHMD-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.44
Rot. Bonds5

About 3-[(2-ethyl-6-nitrophenyl)methoxy]-2-methylpyridine

3-[(2-ethyl-6-nitrophenyl)methoxy]-2-methylpyridine (PubChem CID 144784299) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[(2-ethyl-6-nitrophenyl)methoxy]-2-methylpyridine.

Molecular Properties

Compound Name3-[(2-ethyl-6-nitrophenyl)methoxy]-2-methylpyridine
PubChem CID144784299
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-[(2-ethyl-6-nitrophenyl)methoxy]-2-methylpyridine
SMILESCCc1cccc([N+](=O)[O-])c1COc1cccnc1C
InChIInChI=1S/C15H16N2O3/c1-3-12-6-4-7-14(17(18)19)13(12)10-20-15-8-5-9-16-11(15)2/h4-9H,3,10H2,1-2H3
InChIKeyJPUUYBCTZHYHMD-UHFFFAOYSA-N
XLogP3.44
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid
CID 61380157
2-(bromomethyl)-1-ethyl-3-nitrobenzene
CID 129096805
3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine
CID 107348669
(2-methyl-3-pyridinyl)methyl nitrate
CID 173165609
3-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboximidamide
CID 62893728
[2-[(2-ethylphenoxy)methyl]-6-nitrophenyl]hydrazine
CID 107353334
1,2,3-tris[(2-nitrophenyl)methoxy]benzene
CID 139940652
(2-ethyl-3-nitrobenzoyl) 2-chloropyridine-3-carboxylate
CID 174991770
2-(2-ethoxy-6-nitrophenyl)acetic acid
CID 84689611
2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene
CID 107662001
ethane;3-ethyl-2-methylpyridine
CID 143071594
2-ethyl-3-nitrobenzoate
CID 21114937

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-6-nitrophenyl)methoxy]-2-methylpyridine?
The IUPAC name of 3-[(2-ethyl-6-nitrophenyl)methoxy]-2-methylpyridine (CID 144784299) is 3-[(2-ethyl-6-nitrophenyl)methoxy]-2-methylpyridine.
What is the SMILES notation for 3-[(2-ethyl-6-nitrophenyl)methoxy]-2-methylpyridine?
The canonical SMILES for 3-[(2-ethyl-6-nitrophenyl)methoxy]-2-methylpyridine is CCc1cccc([N+](=O)[O-])c1COc1cccnc1C.
What is the InChIKey of 3-[(2-ethyl-6-nitrophenyl)methoxy]-2-methylpyridine?
The InChIKey is JPUUYBCTZHYHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-12-6-4-7-14(17(18)19)13(12)10-20-15-8-5-9-16-11(15)2/h4-9H,3,10H2,1-2H3.
What are the key properties of 3-[(2-ethyl-6-nitrophenyl)methoxy]-2-methylpyridine?
3-[(2-ethyl-6-nitrophenyl)methoxy]-2-methylpyridine has a molecular weight of 272.30 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-6-nitrophenyl)methoxy]-2-methylpyridine is sourced from PubChem (CID 144784299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).