3-bromo-1-(2-methoxy-4-nitrophenyl)pyridin-2-one

C12H9BrN2O4 — CID 59410145

IUPAC3-bromo-1-(2-methoxy-4-nitrophenyl)pyridin-2-one
SMILESCOc1cc([N+](=O)[O-])ccc1-n1cccc(Br)c1=O
InChIInChI=1S/C12H9BrN2O4/c1-19-11-7-8(15(17)18)4-5-10(11)14-6-2-3-9(13)12(14)16/h2-7H,1H3
InChIKeyBPWPWQPUIWSWIQ-UHFFFAOYSA-N
MW325.12 g/mol
LogP2.52
Rot. Bonds3

About 3-bromo-1-(2-methoxy-4-nitrophenyl)pyridin-2-one

3-bromo-1-(2-methoxy-4-nitrophenyl)pyridin-2-one (PubChem CID 59410145) has the molecular formula C12H9BrN2O4 and a molecular weight of 325.12 g/mol. Its IUPAC name is 3-bromo-1-(2-methoxy-4-nitrophenyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(2-methoxy-4-nitrophenyl)pyridin-2-one
PubChem CID59410145
Molecular FormulaC12H9BrN2O4
Molecular Weight325.12 g/mol
Exact Mass323.97
IUPAC Name3-bromo-1-(2-methoxy-4-nitrophenyl)pyridin-2-one
SMILESCOc1cc([N+](=O)[O-])ccc1-n1cccc(Br)c1=O
InChIInChI=1S/C12H9BrN2O4/c1-19-11-7-8(15(17)18)4-5-10(11)14-6-2-3-9(13)12(14)16/h2-7H,1H3
InChIKeyBPWPWQPUIWSWIQ-UHFFFAOYSA-N
XLogP2.52
TPSA74.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.12
LogP ≤ 52.52
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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Related Compounds

3-bromo-1-(2-chloro-4-nitrophenyl)pyridin-2-one
CID 59536598
3-(2-methoxy-4-nitrophenyl)-1-methylpyridin-2-one
CID 59586699
1-(2-methoxy-4-nitrophenyl)imidazole
CID 22459644
(3S,4S)-1-(2-methoxy-4-nitrophenyl)pyrrolidine-3,4-diol
CID 58386081
1-bromo-2-methoxy-4-nitrobenzene;1-ethyl-4-(2-methoxy-4-nitrophenyl)piperazine
CID 158670108
3-(2-methoxy-4-nitrophenyl)imidazolidine-2,4-dione
CID 107842288
(3S,5S)-1-(2-methoxy-4-nitrophenyl)-3,5-dimethylpiperidine
CID 99966472
1-(2-methoxy-4-nitrophenyl)-3,5-dimethylpiperidine
CID 91679307
2-methoxy-4-nitrobenzaldehyde
CID 2759599
2-bromo-6-(2-methoxy-5-nitrophenoxy)benzonitrile
CID 114881636
2-methoxy-4-nitrobenzenethiol
CID 22148741
2-(2-methoxy-4-nitrophenyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 67060270

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2-methoxy-4-nitrophenyl)pyridin-2-one?
The IUPAC name of 3-bromo-1-(2-methoxy-4-nitrophenyl)pyridin-2-one (CID 59410145) is 3-bromo-1-(2-methoxy-4-nitrophenyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-1-(2-methoxy-4-nitrophenyl)pyridin-2-one?
The canonical SMILES for 3-bromo-1-(2-methoxy-4-nitrophenyl)pyridin-2-one is COc1cc([N+](=O)[O-])ccc1-n1cccc(Br)c1=O.
What is the InChIKey of 3-bromo-1-(2-methoxy-4-nitrophenyl)pyridin-2-one?
The InChIKey is BPWPWQPUIWSWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O4/c1-19-11-7-8(15(17)18)4-5-10(11)14-6-2-3-9(13)12(14)16/h2-7H,1H3.
What are the key properties of 3-bromo-1-(2-methoxy-4-nitrophenyl)pyridin-2-one?
3-bromo-1-(2-methoxy-4-nitrophenyl)pyridin-2-one has a molecular weight of 325.12 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2-methoxy-4-nitrophenyl)pyridin-2-one is sourced from PubChem (CID 59410145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).