5-(2-methoxy-4-nitrophenyl)-3-methylpyridazine

C12H11N3O3 — CID 91267097

IUPAC5-(2-methoxy-4-nitrophenyl)-3-methylpyridazine
SMILESCOc1cc([N+](=O)[O-])ccc1-c1cnnc(C)c1
InChIInChI=1S/C12H11N3O3/c1-8-5-9(7-13-14-8)11-4-3-10(15(16)17)6-12(11)18-2/h3-7H,1-2H3
InChIKeyVBKFVOOHEYSQGP-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.37
Rot. Bonds3

About 5-(2-methoxy-4-nitrophenyl)-3-methylpyridazine

5-(2-methoxy-4-nitrophenyl)-3-methylpyridazine (PubChem CID 91267097) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 5-(2-methoxy-4-nitrophenyl)-3-methylpyridazine.

Molecular Properties

Compound Name5-(2-methoxy-4-nitrophenyl)-3-methylpyridazine
PubChem CID91267097
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name5-(2-methoxy-4-nitrophenyl)-3-methylpyridazine
SMILESCOc1cc([N+](=O)[O-])ccc1-c1cnnc(C)c1
InChIInChI=1S/C12H11N3O3/c1-8-5-9(7-13-14-8)11-4-3-10(15(16)17)6-12(11)18-2/h3-7H,1-2H3
InChIKeyVBKFVOOHEYSQGP-UHFFFAOYSA-N
XLogP2.37
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.37
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

3-(4-Methoxyphenyl)pyridazine
CID 59738576
6-(4-Methoxyphenyl)-1-oxidopyridazin-1-ium
CID 59738605
5-Methyl-1-oxido-3-[3-(trifluoromethoxy)phenyl]pyridazin-1-ium
CID 20226920
4-(5-fluoro-2-methoxy-4-nitrophenyl)-1H-pyrazole
CID 58310664
3-[5-Nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridazine
CID 71283895
[4-(4-Amino-2-methoxyphenyl)-3-methylpyrazol-1-yl] thiohypofluorite
CID 153616864
(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite
CID 155112470
6-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]-1-oxidopyridazin-1-ium
CID 177408550
3,4-Bis-(4-methoxyphenyl)pyridazine 1-oxide
CID 12568122
3-(4-Methoxyphenyl)-1-oxido-4-phenylpyridazin-1-ium
CID 18760024
3-[(2-Methoxyphenyl)methyl]pyridazine
CID 21387577
3-[Methoxy-(2-methoxyphenyl)methyl]pyridazine
CID 21387602

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4-nitrophenyl)-3-methylpyridazine?
The IUPAC name of 5-(2-methoxy-4-nitrophenyl)-3-methylpyridazine (CID 91267097) is 5-(2-methoxy-4-nitrophenyl)-3-methylpyridazine.
What is the SMILES notation for 5-(2-methoxy-4-nitrophenyl)-3-methylpyridazine?
The canonical SMILES for 5-(2-methoxy-4-nitrophenyl)-3-methylpyridazine is COc1cc([N+](=O)[O-])ccc1-c1cnnc(C)c1.
What is the InChIKey of 5-(2-methoxy-4-nitrophenyl)-3-methylpyridazine?
The InChIKey is VBKFVOOHEYSQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-8-5-9(7-13-14-8)11-4-3-10(15(16)17)6-12(11)18-2/h3-7H,1-2H3.
What are the key properties of 5-(2-methoxy-4-nitrophenyl)-3-methylpyridazine?
5-(2-methoxy-4-nitrophenyl)-3-methylpyridazine has a molecular weight of 245.24 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4-nitrophenyl)-3-methylpyridazine is sourced from PubChem (CID 91267097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).