2-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)acetamide

C10H12BrN3O5 — CID 104505947

IUPAC2-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)acetamide
SMILESCc1c([N+](=O)[O-])cn(CC(=O)NCCO)c(=O)c1Br
InChIInChI=1S/C10H12BrN3O5/c1-6-7(14(18)19)4-13(10(17)9(6)11)5-8(16)12-2-3-15/h4,15H,2-3,5H2,1H3,(H,12,16)
InChIKeySDVSGNKWQRQFKB-UHFFFAOYSA-N
MW334.13 g/mol
LogP-0.06
Rot. Bonds5

About 2-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)acetamide

2-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)acetamide (PubChem CID 104505947) has the molecular formula C10H12BrN3O5 and a molecular weight of 334.13 g/mol. Its IUPAC name is 2-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)acetamide
PubChem CID104505947
Molecular FormulaC10H12BrN3O5
Molecular Weight334.13 g/mol
Exact Mass333.00
IUPAC Name2-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)acetamide
SMILESCc1c([N+](=O)[O-])cn(CC(=O)NCCO)c(=O)c1Br
InChIInChI=1S/C10H12BrN3O5/c1-6-7(14(18)19)4-13(10(17)9(6)11)5-8(16)12-2-3-15/h4,15H,2-3,5H2,1H3,(H,12,16)
InChIKeySDVSGNKWQRQFKB-UHFFFAOYSA-N
XLogP-0.06
TPSA114.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.13
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)butanehydrazide
CID 104506067
3-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-2,2-dimethylpropanehydrazide
CID 104506066
3-bromo-1-(5-chloropentyl)-4-methyl-5-nitropyridin-2-one
CID 104505601
2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)acetamide
CID 104505729
3-bromo-1-(2,2-dimethyl-3-sulfanylpropyl)-4-methyl-5-nitropyridin-2-one
CID 113420348
N-(2-methoxyethyl)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)acetamide
CID 63812427
3-bromo-4-methyl-1-[3-methyl-2-(sulfanylmethyl)butyl]-5-nitropyridin-2-one
CID 104506101
N-(3-methylbutyl)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)acetamide
CID 63811447
3-bromo-1-[(4-chloro-2-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one
CID 104505634
3-bromo-1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4-methyl-5-nitropyridin-2-one
CID 104506027
2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(cyclopropylmethyl)acetamide
CID 104505835
2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 137320602

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)acetamide (CID 104505947) is 2-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)acetamide is Cc1c([N+](=O)[O-])cn(CC(=O)NCCO)c(=O)c1Br.
What is the InChIKey of 2-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is SDVSGNKWQRQFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O5/c1-6-7(14(18)19)4-13(10(17)9(6)11)5-8(16)12-2-3-15/h4,15H,2-3,5H2,1H3,(H,12,16).
What are the key properties of 2-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)acetamide?
2-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 334.13 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 104505947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).