2,4-dimethyl-2-nitro-1H-pyridine

C7H10N2O2 — CID 139638516

IUPAC2,4-dimethyl-2-nitro-1H-pyridine
SMILESCC1=CC(C)([N+](=O)[O-])NC=C1
InChIInChI=1S/C7H10N2O2/c1-6-3-4-8-7(2,5-6)9(10)11/h3-5,8H,1-2H3
InChIKeyCKIBAICEOFEYJI-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.04
Rot. Bonds1

About 2,4-dimethyl-2-nitro-1H-pyridine

2,4-dimethyl-2-nitro-1H-pyridine (PubChem CID 139638516) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2,4-dimethyl-2-nitro-1H-pyridine.

Molecular Properties

Compound Name2,4-dimethyl-2-nitro-1H-pyridine
PubChem CID139638516
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2,4-dimethyl-2-nitro-1H-pyridine
SMILESCC1=CC(C)([N+](=O)[O-])NC=C1
InChIInChI=1S/C7H10N2O2/c1-6-3-4-8-7(2,5-6)9(10)11/h3-5,8H,1-2H3
InChIKeyCKIBAICEOFEYJI-UHFFFAOYSA-N
XLogP1.04
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.04
H-Bond Donors ≤ 51
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 2,4-dimethyl-2-nitro-1H-pyridine?
The IUPAC name of 2,4-dimethyl-2-nitro-1H-pyridine (CID 139638516) is 2,4-dimethyl-2-nitro-1H-pyridine.
What is the SMILES notation for 2,4-dimethyl-2-nitro-1H-pyridine?
The canonical SMILES for 2,4-dimethyl-2-nitro-1H-pyridine is CC1=CC(C)([N+](=O)[O-])NC=C1.
What is the InChIKey of 2,4-dimethyl-2-nitro-1H-pyridine?
The InChIKey is CKIBAICEOFEYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-6-3-4-8-7(2,5-6)9(10)11/h3-5,8H,1-2H3.
What are the key properties of 2,4-dimethyl-2-nitro-1H-pyridine?
2,4-dimethyl-2-nitro-1H-pyridine has a molecular weight of 154.17 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-nitro-1H-pyridine is sourced from PubChem (CID 139638516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).