6-(3-bromo-5-nitrophenyl)-1H-pyridin-2-one

C11H7BrN2O3 — CID 122358383

IUPAC6-(3-bromo-5-nitrophenyl)-1H-pyridin-2-one
SMILESO=c1cccc(-c2cc(Br)cc([N+](=O)[O-])c2)[nH]1
InChIInChI=1S/C11H7BrN2O3/c12-8-4-7(5-9(6-8)14(16)17)10-2-1-3-11(15)13-10/h1-6H,(H,13,15)
InChIKeyITUNSGQZQHPQPW-UHFFFAOYSA-N
MW295.09 g/mol
LogP2.71
Rot. Bonds2

About 6-(3-bromo-5-nitrophenyl)-1H-pyridin-2-one

6-(3-bromo-5-nitrophenyl)-1H-pyridin-2-one (PubChem CID 122358383) has the molecular formula C11H7BrN2O3 and a molecular weight of 295.09 g/mol. Its IUPAC name is 6-(3-bromo-5-nitrophenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(3-bromo-5-nitrophenyl)-1H-pyridin-2-one
PubChem CID122358383
Molecular FormulaC11H7BrN2O3
Molecular Weight295.09 g/mol
Exact Mass293.96
IUPAC Name6-(3-bromo-5-nitrophenyl)-1H-pyridin-2-one
SMILESO=c1cccc(-c2cc(Br)cc([N+](=O)[O-])c2)[nH]1
InChIInChI=1S/C11H7BrN2O3/c12-8-4-7(5-9(6-8)14(16)17)10-2-1-3-11(15)13-10/h1-6H,(H,13,15)
InChIKeyITUNSGQZQHPQPW-UHFFFAOYSA-N
XLogP2.71
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.09
LogP ≤ 52.71
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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Related Compounds

6-(4-nitrophenyl)-1H-pyridin-2-one
CID 122200181
3-(3-bromo-5-nitrophenyl)pyridine
CID 119089037
1-bromo-3-nitrobenzene;zinc
CID 159421870
aniline;1-bromo-3,5-dinitrobenzene
CID 175293083
6-(3-nitrophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515706
2-(3-bromo-5-nitrophenyl)-5-chloro-1,3,4-oxadiazole
CID 114770827
3-bromo-5-(3-bromo-5-nitrophenyl)-1,2,4-oxadiazole
CID 112571731
3-(hydroxymethyl)-6-(3-nitrophenyl)-1H-pyridin-2-one
CID 82517149
3-bromo-5-nitroaniline;hydrochloride
CID 112756585
1,2-bis(3-bromo-5-nitrophenyl)hydrazine
CID 176582999
6-bromo-8-nitro-1H-quinolin-2-one
CID 155551929
(3-bromo-5-nitrophenyl)-phenylmethanone
CID 71285821

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-5-nitrophenyl)-1H-pyridin-2-one?
The IUPAC name of 6-(3-bromo-5-nitrophenyl)-1H-pyridin-2-one (CID 122358383) is 6-(3-bromo-5-nitrophenyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(3-bromo-5-nitrophenyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(3-bromo-5-nitrophenyl)-1H-pyridin-2-one is O=c1cccc(-c2cc(Br)cc([N+](=O)[O-])c2)[nH]1.
What is the InChIKey of 6-(3-bromo-5-nitrophenyl)-1H-pyridin-2-one?
The InChIKey is ITUNSGQZQHPQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O3/c12-8-4-7(5-9(6-8)14(16)17)10-2-1-3-11(15)13-10/h1-6H,(H,13,15).
What are the key properties of 6-(3-bromo-5-nitrophenyl)-1H-pyridin-2-one?
6-(3-bromo-5-nitrophenyl)-1H-pyridin-2-one has a molecular weight of 295.09 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-5-nitrophenyl)-1H-pyridin-2-one is sourced from PubChem (CID 122358383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).