5-bromo-4-cyclopropyl-3-nitro-1H-pyridin-2-one

C8H7BrN2O3 — CID 170324538

IUPAC5-bromo-4-cyclopropyl-3-nitro-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)c(C2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C8H7BrN2O3/c9-5-3-10-8(12)7(11(13)14)6(5)4-1-2-4/h3-4H,1-2H2,(H,10,12)
InChIKeyWGYDGADGHFGGQB-UHFFFAOYSA-N
MW259.06 g/mol
LogP1.92
Rot. Bonds2

About 5-bromo-4-cyclopropyl-3-nitro-1H-pyridin-2-one

5-bromo-4-cyclopropyl-3-nitro-1H-pyridin-2-one (PubChem CID 170324538) has the molecular formula C8H7BrN2O3 and a molecular weight of 259.06 g/mol. Its IUPAC name is 5-bromo-4-cyclopropyl-3-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-4-cyclopropyl-3-nitro-1H-pyridin-2-one
PubChem CID170324538
Molecular FormulaC8H7BrN2O3
Molecular Weight259.06 g/mol
Exact Mass257.96
IUPAC Name5-bromo-4-cyclopropyl-3-nitro-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)c(C2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C8H7BrN2O3/c9-5-3-10-8(12)7(11(13)14)6(5)4-1-2-4/h3-4H,1-2H2,(H,10,12)
InChIKeyWGYDGADGHFGGQB-UHFFFAOYSA-N
XLogP1.92
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.06
LogP ≤ 51.92
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-bromo-4-cyclopropyl-3-nitro-1H-pyridin-2-one?
The IUPAC name of 5-bromo-4-cyclopropyl-3-nitro-1H-pyridin-2-one (CID 170324538) is 5-bromo-4-cyclopropyl-3-nitro-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-4-cyclopropyl-3-nitro-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-4-cyclopropyl-3-nitro-1H-pyridin-2-one is O=c1[nH]cc(Br)c(C2CC2)c1[N+](=O)[O-].
What is the InChIKey of 5-bromo-4-cyclopropyl-3-nitro-1H-pyridin-2-one?
The InChIKey is WGYDGADGHFGGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O3/c9-5-3-10-8(12)7(11(13)14)6(5)4-1-2-4/h3-4H,1-2H2,(H,10,12).
What are the key properties of 5-bromo-4-cyclopropyl-3-nitro-1H-pyridin-2-one?
5-bromo-4-cyclopropyl-3-nitro-1H-pyridin-2-one has a molecular weight of 259.06 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-cyclopropyl-3-nitro-1H-pyridin-2-one is sourced from PubChem (CID 170324538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).