N-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

C13H10BrN3O4 — CID 7890242

IUPACN-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C13H10BrN3O4/c14-9-1-3-10(4-2-9)15-12(18)8-16-7-11(17(20)21)5-6-13(16)19/h1-7H,8H2,(H,15,18)
InChIKeyOFQKRPXUUWYKHB-UHFFFAOYSA-N
MW352.14 g/mol
LogP2.16
Rot. Bonds4

About N-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

N-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (PubChem CID 7890242) has the molecular formula C13H10BrN3O4 and a molecular weight of 352.14 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
PubChem CID7890242
Molecular FormulaC13H10BrN3O4
Molecular Weight352.14 g/mol
Exact Mass350.99
IUPAC NameN-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C13H10BrN3O4/c14-9-1-3-10(4-2-9)15-12(18)8-16-7-11(17(20)21)5-6-13(16)19/h1-7H,8H2,(H,15,18)
InChIKeyOFQKRPXUUWYKHB-UHFFFAOYSA-N
XLogP2.16
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.14
LogP ≤ 52.16
H-Bond Donors ≤ 51
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

N-(4-bromophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
CID 124595289
2-(5-bromo-2-oxo-1-pyridinyl)-N-(4-iodophenyl)acetamide
CID 26217273
N-(3-methylsulfanylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 18084983
2-(5-nitro-2-oxo-1-pyridinyl)-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 31140109
N-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890319
N-(2-ethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890330
N-(2-cyanophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7467854
N-(4-chloro-2-fluorophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890392
N-(2-chloro-4,6-dimethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890150
3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-(4-bromophenyl)propanamide
CID 55951719
N-[(2R)-butan-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7467794
N-[3-(aminomethyl)pentan-3-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 119571533

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (CID 7890242) is N-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The InChIKey is OFQKRPXUUWYKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O4/c14-9-1-3-10(4-2-9)15-12(18)8-16-7-11(17(20)21)5-6-13(16)19/h1-7H,8H2,(H,15,18).
What are the key properties of N-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
N-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide has a molecular weight of 352.14 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 7890242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).