1-methyl-4-(4-nitrophenoxy)-3,6-dihydro-2H-pyridine

C12H14N2O3 — CID 10059915

IUPAC1-methyl-4-(4-nitrophenoxy)-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(Oc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C12H14N2O3/c1-13-8-6-12(7-9-13)17-11-4-2-10(3-5-11)14(15)16/h2-6H,7-9H2,1H3
InChIKeyJMYKWDANAZAHQA-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.19
Rot. Bonds3

About 1-methyl-4-(4-nitrophenoxy)-3,6-dihydro-2H-pyridine

1-methyl-4-(4-nitrophenoxy)-3,6-dihydro-2H-pyridine (PubChem CID 10059915) has the molecular formula C12H14N2O3 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-methyl-4-(4-nitrophenoxy)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-(4-nitrophenoxy)-3,6-dihydro-2H-pyridine
PubChem CID10059915
Molecular FormulaC12H14N2O3
Molecular Weight234.26 g/mol
Exact Mass234.10
IUPAC Name1-methyl-4-(4-nitrophenoxy)-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(Oc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C12H14N2O3/c1-13-8-6-12(7-9-13)17-11-4-2-10(3-5-11)14(15)16/h2-6H,7-9H2,1H3
InChIKeyJMYKWDANAZAHQA-UHFFFAOYSA-N
XLogP2.19
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.19
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

1-methyl-4-[4-(4-nitrophenoxy)phenyl]sulfonylpiperazine
CID 1107115
1,4-bis[2-[4-(4-nitrophenoxy)phenyl]propan-2-yl]benzene
CID 15217324
1-(4-nitrophenoxy)-4-[2-[4-(4-nitrophenoxy)phenyl]ethyl]benzene
CID 139816663
1,3-dichloro-5-methyl-2-(4-nitrophenoxy)benzene
CID 57435289
2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitrophenyl]acetonitrile
CID 170324676
[4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone
CID 14344371
1-[1-[1,1-bis(4-nitrophenoxy)ethoxy]-1-(4-nitrophenoxy)ethoxy]-4-nitrobenzene
CID 20979717
(1R)-1-[4-(4-nitrophenoxy)phenyl]ethanamine
CID 78938194
4-methyl-2-[(4-nitrophenoxy)methylidene]morpholine
CID 70594928
1-[3-(4-nitrophenoxy)propyl]piperidin-4-one
CID 46203824
CID 153008841
CID 153008841
1-[3-(4-nitrophenoxy)propyl]pyrrolidine
CID 2232563

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-nitrophenoxy)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-4-(4-nitrophenoxy)-3,6-dihydro-2H-pyridine (CID 10059915) is 1-methyl-4-(4-nitrophenoxy)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-4-(4-nitrophenoxy)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-4-(4-nitrophenoxy)-3,6-dihydro-2H-pyridine is CN1CC=C(Oc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 1-methyl-4-(4-nitrophenoxy)-3,6-dihydro-2H-pyridine?
The InChIKey is JMYKWDANAZAHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-13-8-6-12(7-9-13)17-11-4-2-10(3-5-11)14(15)16/h2-6H,7-9H2,1H3.
What are the key properties of 1-methyl-4-(4-nitrophenoxy)-3,6-dihydro-2H-pyridine?
1-methyl-4-(4-nitrophenoxy)-3,6-dihydro-2H-pyridine has a molecular weight of 234.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-nitrophenoxy)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 10059915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).