1-cyclopropyl-6-(4-nitrophenyl)-2-oxopyridine-3-carbonitrile

C15H11N3O3 — CID 82516957

IUPAC1-cyclopropyl-6-(4-nitrophenyl)-2-oxopyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc([N+](=O)[O-])cc2)n(C2CC2)c1=O
InChIInChI=1S/C15H11N3O3/c16-9-11-3-8-14(17(15(11)19)12-6-7-12)10-1-4-13(5-2-10)18(20)21/h1-5,8,12H,6-7H2
InChIKeyCEUZXDOYKBNKEB-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.63
Rot. Bonds3

About 1-cyclopropyl-6-(4-nitrophenyl)-2-oxopyridine-3-carbonitrile

1-cyclopropyl-6-(4-nitrophenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 82516957) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-cyclopropyl-6-(4-nitrophenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-6-(4-nitrophenyl)-2-oxopyridine-3-carbonitrile
PubChem CID82516957
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name1-cyclopropyl-6-(4-nitrophenyl)-2-oxopyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc([N+](=O)[O-])cc2)n(C2CC2)c1=O
InChIInChI=1S/C15H11N3O3/c16-9-11-3-8-14(17(15(11)19)12-6-7-12)10-1-4-13(5-2-10)18(20)21/h1-5,8,12H,6-7H2
InChIKeyCEUZXDOYKBNKEB-UHFFFAOYSA-N
XLogP2.63
TPSA88.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1-cyclopropyl-6-(4-nitrophenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-cyclopropyl-6-(4-nitrophenyl)-2-oxopyridine-3-carbonitrile (CID 82516957) is 1-cyclopropyl-6-(4-nitrophenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-6-(4-nitrophenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-cyclopropyl-6-(4-nitrophenyl)-2-oxopyridine-3-carbonitrile is N#Cc1ccc(-c2ccc([N+](=O)[O-])cc2)n(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-6-(4-nitrophenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is CEUZXDOYKBNKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c16-9-11-3-8-14(17(15(11)19)12-6-7-12)10-1-4-13(5-2-10)18(20)21/h1-5,8,12H,6-7H2.
What are the key properties of 1-cyclopropyl-6-(4-nitrophenyl)-2-oxopyridine-3-carbonitrile?
1-cyclopropyl-6-(4-nitrophenyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 281.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-(4-nitrophenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82516957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).