6-(2-methylpropyl)-3-nitro-5-pyridin-4-yl-1H-pyridin-2-one

C14H15N3O3 — CID 20523893

IUPAC6-(2-methylpropyl)-3-nitro-5-pyridin-4-yl-1H-pyridin-2-one
SMILESCC(C)Cc1[nH]c(=O)c([N+](=O)[O-])cc1-c1ccncc1
InChIInChI=1S/C14H15N3O3/c1-9(2)7-12-11(10-3-5-15-6-4-10)8-13(17(19)20)14(18)16-12/h3-6,8-9H,7H2,1-2H3,(H,16,18)
InChIKeyGMLHHXPZCZDHIC-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.54
Rot. Bonds4

About 6-(2-methylpropyl)-3-nitro-5-pyridin-4-yl-1H-pyridin-2-one

6-(2-methylpropyl)-3-nitro-5-pyridin-4-yl-1H-pyridin-2-one (PubChem CID 20523893) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 6-(2-methylpropyl)-3-nitro-5-pyridin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2-methylpropyl)-3-nitro-5-pyridin-4-yl-1H-pyridin-2-one
PubChem CID20523893
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name6-(2-methylpropyl)-3-nitro-5-pyridin-4-yl-1H-pyridin-2-one
SMILESCC(C)Cc1[nH]c(=O)c([N+](=O)[O-])cc1-c1ccncc1
InChIInChI=1S/C14H15N3O3/c1-9(2)7-12-11(10-3-5-15-6-4-10)8-13(17(19)20)14(18)16-12/h3-6,8-9H,7H2,1-2H3,(H,16,18)
InChIKeyGMLHHXPZCZDHIC-UHFFFAOYSA-N
XLogP2.54
TPSA88.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-(2-methylpropyl)-3-nitro-5-pyridin-4-yl-1H-pyridin-2-one?
The IUPAC name of 6-(2-methylpropyl)-3-nitro-5-pyridin-4-yl-1H-pyridin-2-one (CID 20523893) is 6-(2-methylpropyl)-3-nitro-5-pyridin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-(2-methylpropyl)-3-nitro-5-pyridin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 6-(2-methylpropyl)-3-nitro-5-pyridin-4-yl-1H-pyridin-2-one is CC(C)Cc1[nH]c(=O)c([N+](=O)[O-])cc1-c1ccncc1.
What is the InChIKey of 6-(2-methylpropyl)-3-nitro-5-pyridin-4-yl-1H-pyridin-2-one?
The InChIKey is GMLHHXPZCZDHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9(2)7-12-11(10-3-5-15-6-4-10)8-13(17(19)20)14(18)16-12/h3-6,8-9H,7H2,1-2H3,(H,16,18).
What are the key properties of 6-(2-methylpropyl)-3-nitro-5-pyridin-4-yl-1H-pyridin-2-one?
6-(2-methylpropyl)-3-nitro-5-pyridin-4-yl-1H-pyridin-2-one has a molecular weight of 273.29 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-3-nitro-5-pyridin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 20523893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).