5-ethyl-2-methylpyridine;nitric acid

C8H12N2O3 — CID 157098676

IUPAC5-ethyl-2-methylpyridine;nitric acid
SMILESCCc1ccc(C)nc1.O=[N+]([O-])O
InChIInChI=1S/C8H11N.HNO3/c1-3-8-5-4-7(2)9-6-8;2-1(3)4/h4-6H,3H2,1-2H3;(H,2,3,4)
InChIKeyAFMWCJMICPZDDC-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.60
Rot. Bonds1

About 5-ethyl-2-methylpyridine;nitric acid

5-ethyl-2-methylpyridine;nitric acid (PubChem CID 157098676) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 5-ethyl-2-methylpyridine;nitric acid.

Molecular Properties

Compound Name5-ethyl-2-methylpyridine;nitric acid
PubChem CID157098676
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name5-ethyl-2-methylpyridine;nitric acid
SMILESCCc1ccc(C)nc1.O=[N+]([O-])O
InChIInChI=1S/C8H11N.HNO3/c1-3-8-5-4-7(2)9-6-8;2-1(3)4/h4-6H,3H2,1-2H3;(H,2,3,4)
InChIKeyAFMWCJMICPZDDC-UHFFFAOYSA-N
XLogP1.60
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.60
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 5-ethyl-2-methylpyridine;nitric acid?
The IUPAC name of 5-ethyl-2-methylpyridine;nitric acid (CID 157098676) is 5-ethyl-2-methylpyridine;nitric acid.
What is the SMILES notation for 5-ethyl-2-methylpyridine;nitric acid?
The canonical SMILES for 5-ethyl-2-methylpyridine;nitric acid is CCc1ccc(C)nc1.O=[N+]([O-])O.
What is the InChIKey of 5-ethyl-2-methylpyridine;nitric acid?
The InChIKey is AFMWCJMICPZDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.HNO3/c1-3-8-5-4-7(2)9-6-8;2-1(3)4/h4-6H,3H2,1-2H3;(H,2,3,4).
What are the key properties of 5-ethyl-2-methylpyridine;nitric acid?
5-ethyl-2-methylpyridine;nitric acid has a molecular weight of 184.19 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methylpyridine;nitric acid is sourced from PubChem (CID 157098676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).