2,3,5,6-tetramethyl-4-(2-nitrophenyl)-3,4-dihydropyridine

C15H18N2O2 — CID 56631080

IUPAC2,3,5,6-tetramethyl-4-(2-nitrophenyl)-3,4-dihydropyridine
SMILESCC1=NC(C)=C(C)C(c2ccccc2[N+](=O)[O-])C1C
InChIInChI=1S/C15H18N2O2/c1-9-11(3)16-12(4)10(2)15(9)13-7-5-6-8-14(13)17(18)19/h5-9,15H,1-4H3
InChIKeyAPEIAEFUHUHIHQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.08
Rot. Bonds2

About 2,3,5,6-tetramethyl-4-(2-nitrophenyl)-3,4-dihydropyridine

2,3,5,6-tetramethyl-4-(2-nitrophenyl)-3,4-dihydropyridine (PubChem CID 56631080) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-4-(2-nitrophenyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-4-(2-nitrophenyl)-3,4-dihydropyridine
PubChem CID56631080
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2,3,5,6-tetramethyl-4-(2-nitrophenyl)-3,4-dihydropyridine
SMILESCC1=NC(C)=C(C)C(c2ccccc2[N+](=O)[O-])C1C
InChIInChI=1S/C15H18N2O2/c1-9-11(3)16-12(4)10(2)15(9)13-7-5-6-8-14(13)17(18)19/h5-9,15H,1-4H3
InChIKeyAPEIAEFUHUHIHQ-UHFFFAOYSA-N
XLogP4.08
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-4-(2-nitrophenyl)-3,4-dihydropyridine?
The IUPAC name of 2,3,5,6-tetramethyl-4-(2-nitrophenyl)-3,4-dihydropyridine (CID 56631080) is 2,3,5,6-tetramethyl-4-(2-nitrophenyl)-3,4-dihydropyridine.
What is the SMILES notation for 2,3,5,6-tetramethyl-4-(2-nitrophenyl)-3,4-dihydropyridine?
The canonical SMILES for 2,3,5,6-tetramethyl-4-(2-nitrophenyl)-3,4-dihydropyridine is CC1=NC(C)=C(C)C(c2ccccc2[N+](=O)[O-])C1C.
What is the InChIKey of 2,3,5,6-tetramethyl-4-(2-nitrophenyl)-3,4-dihydropyridine?
The InChIKey is APEIAEFUHUHIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9-11(3)16-12(4)10(2)15(9)13-7-5-6-8-14(13)17(18)19/h5-9,15H,1-4H3.
What are the key properties of 2,3,5,6-tetramethyl-4-(2-nitrophenyl)-3,4-dihydropyridine?
2,3,5,6-tetramethyl-4-(2-nitrophenyl)-3,4-dihydropyridine has a molecular weight of 258.32 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-4-(2-nitrophenyl)-3,4-dihydropyridine is sourced from PubChem (CID 56631080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).