2-ethyl-5-nitro-2,3-dihydropyridine

C7H10N2O2 — CID 118155973

IUPAC2-ethyl-5-nitro-2,3-dihydropyridine
SMILESCCC1CC=C([N+](=O)[O-])C=N1
InChIInChI=1S/C7H10N2O2/c1-2-6-3-4-7(5-8-6)9(10)11/h4-6H,2-3H2,1H3
InChIKeyCTXMGHIHBLASBZ-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.40
Rot. Bonds2

About 2-ethyl-5-nitro-2,3-dihydropyridine

2-ethyl-5-nitro-2,3-dihydropyridine (PubChem CID 118155973) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-ethyl-5-nitro-2,3-dihydropyridine.

Molecular Properties

Compound Name2-ethyl-5-nitro-2,3-dihydropyridine
PubChem CID118155973
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-ethyl-5-nitro-2,3-dihydropyridine
SMILESCCC1CC=C([N+](=O)[O-])C=N1
InChIInChI=1S/C7H10N2O2/c1-2-6-3-4-7(5-8-6)9(10)11/h4-6H,2-3H2,1H3
InChIKeyCTXMGHIHBLASBZ-UHFFFAOYSA-N
XLogP1.40
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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

5-Nitro-2,3-dihydropyridine
CID 53786735
2,5-Dimethyl-5-nitropyridine-1-oxide
CID 86720750
2,5-Dimethyl-5-nitropyridine
CID 86720751
4-Nitro-1-oxido-2,3-dihydropyridin-1-ium
CID 89134134
5-Nitro-2-propan-2-yl-2,3-dihydropyridine
CID 123520274
2-methyl-5-nitro-2H-pyridine-3-thione
CID 174617519
2-ethyl-5-nitro-2H-pyridine-3-thione
CID 174631439
2,3-Dimethyl-4-nitro-1-oxido-2,3-dihydropyridin-1-ium
CID 45382144

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-nitro-2,3-dihydropyridine?
The IUPAC name of 2-ethyl-5-nitro-2,3-dihydropyridine (CID 118155973) is 2-ethyl-5-nitro-2,3-dihydropyridine.
What is the SMILES notation for 2-ethyl-5-nitro-2,3-dihydropyridine?
The canonical SMILES for 2-ethyl-5-nitro-2,3-dihydropyridine is CCC1CC=C([N+](=O)[O-])C=N1.
What is the InChIKey of 2-ethyl-5-nitro-2,3-dihydropyridine?
The InChIKey is CTXMGHIHBLASBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-6-3-4-7(5-8-6)9(10)11/h4-6H,2-3H2,1H3.
What are the key properties of 2-ethyl-5-nitro-2,3-dihydropyridine?
2-ethyl-5-nitro-2,3-dihydropyridine has a molecular weight of 154.17 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-nitro-2,3-dihydropyridine is sourced from PubChem (CID 118155973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).