6-methyl-5-nitro-2,3-dihydropyridine

C6H8N2O2 — CID 129196315

IUPAC6-methyl-5-nitro-2,3-dihydropyridine
SMILESCC1=NCCC=C1[N+](=O)[O-]
InChIInChI=1S/C6H8N2O2/c1-5-6(8(9)10)3-2-4-7-5/h3H,2,4H2,1H3
InChIKeyUCTWFKDDXPIRIM-UHFFFAOYSA-N
MW140.14 g/mol
LogP1.01
Rot. Bonds1

About 6-methyl-5-nitro-2,3-dihydropyridine

6-methyl-5-nitro-2,3-dihydropyridine (PubChem CID 129196315) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 6-methyl-5-nitro-2,3-dihydropyridine.

Molecular Properties

Compound Name6-methyl-5-nitro-2,3-dihydropyridine
PubChem CID129196315
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name6-methyl-5-nitro-2,3-dihydropyridine
SMILESCC1=NCCC=C1[N+](=O)[O-]
InChIInChI=1S/C6H8N2O2/c1-5-6(8(9)10)3-2-4-7-5/h3H,2,4H2,1H3
InChIKeyUCTWFKDDXPIRIM-UHFFFAOYSA-N
XLogP1.01
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 51.01
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 6-methyl-5-nitro-2,3-dihydropyridine?
The IUPAC name of 6-methyl-5-nitro-2,3-dihydropyridine (CID 129196315) is 6-methyl-5-nitro-2,3-dihydropyridine.
What is the SMILES notation for 6-methyl-5-nitro-2,3-dihydropyridine?
The canonical SMILES for 6-methyl-5-nitro-2,3-dihydropyridine is CC1=NCCC=C1[N+](=O)[O-].
What is the InChIKey of 6-methyl-5-nitro-2,3-dihydropyridine?
The InChIKey is UCTWFKDDXPIRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-5-6(8(9)10)3-2-4-7-5/h3H,2,4H2,1H3.
What are the key properties of 6-methyl-5-nitro-2,3-dihydropyridine?
6-methyl-5-nitro-2,3-dihydropyridine has a molecular weight of 140.14 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-nitro-2,3-dihydropyridine is sourced from PubChem (CID 129196315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).