3,6-dimethyl-3-nitro-4H-pyridine

C7H10N2O2 — CID 86720751

IUPAC3,6-dimethyl-3-nitro-4H-pyridine
SMILESCC1=CCC(C)([N+](=O)[O-])C=N1
InChIInChI=1S/C7H10N2O2/c1-6-3-4-7(2,5-8-6)9(10)11/h3,5H,4H2,1-2H3
InChIKeyZWCIVAGEGVTYRP-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.40
Rot. Bonds1

About 3,6-dimethyl-3-nitro-4H-pyridine

3,6-dimethyl-3-nitro-4H-pyridine (PubChem CID 86720751) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3,6-dimethyl-3-nitro-4H-pyridine.

Molecular Properties

Compound Name3,6-dimethyl-3-nitro-4H-pyridine
PubChem CID86720751
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3,6-dimethyl-3-nitro-4H-pyridine
SMILESCC1=CCC(C)([N+](=O)[O-])C=N1
InChIInChI=1S/C7H10N2O2/c1-6-3-4-7(2,5-8-6)9(10)11/h3,5H,4H2,1-2H3
InChIKeyZWCIVAGEGVTYRP-UHFFFAOYSA-N
XLogP1.40
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.40
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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Related Compounds

2,5-Dimethyl-5-nitropyridine-1-oxide
CID 86720750
2-Ethyl-5-nitro-2,3-dihydropyridine
CID 118155973
5-Nitro-2-propan-2-yl-2,3-dihydropyridine
CID 123520274
2,3-Dimethyl-4-nitro-1-oxido-2,3-dihydropyridin-1-ium
CID 45382144

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-3-nitro-4H-pyridine?
The IUPAC name of 3,6-dimethyl-3-nitro-4H-pyridine (CID 86720751) is 3,6-dimethyl-3-nitro-4H-pyridine.
What is the SMILES notation for 3,6-dimethyl-3-nitro-4H-pyridine?
The canonical SMILES for 3,6-dimethyl-3-nitro-4H-pyridine is CC1=CCC(C)([N+](=O)[O-])C=N1.
What is the InChIKey of 3,6-dimethyl-3-nitro-4H-pyridine?
The InChIKey is ZWCIVAGEGVTYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-6-3-4-7(2,5-8-6)9(10)11/h3,5H,4H2,1-2H3.
What are the key properties of 3,6-dimethyl-3-nitro-4H-pyridine?
3,6-dimethyl-3-nitro-4H-pyridine has a molecular weight of 154.17 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-3-nitro-4H-pyridine is sourced from PubChem (CID 86720751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).