2-(5-amino-2-pyridinyl)-N-(2-bromo-5-nitrophenyl)acetamide

C13H11BrN4O3 — CID 107339371

IUPAC2-(5-amino-2-pyridinyl)-N-(2-bromo-5-nitrophenyl)acetamide
SMILESNc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2Br)nc1
InChIInChI=1S/C13H11BrN4O3/c14-11-4-3-10(18(20)21)6-12(11)17-13(19)5-9-2-1-8(15)7-16-9/h1-4,6-7H,5,15H2,(H,17,19)
InChIKeyIOZRFTXQPHFPGZ-UHFFFAOYSA-N
MW351.16 g/mol
LogP2.52
Rot. Bonds4

About 2-(5-amino-2-pyridinyl)-N-(2-bromo-5-nitrophenyl)acetamide

2-(5-amino-2-pyridinyl)-N-(2-bromo-5-nitrophenyl)acetamide (PubChem CID 107339371) has the molecular formula C13H11BrN4O3 and a molecular weight of 351.16 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-(2-bromo-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-(2-bromo-5-nitrophenyl)acetamide
PubChem CID107339371
Molecular FormulaC13H11BrN4O3
Molecular Weight351.16 g/mol
Exact Mass350.00
IUPAC Name2-(5-amino-2-pyridinyl)-N-(2-bromo-5-nitrophenyl)acetamide
SMILESNc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2Br)nc1
InChIInChI=1S/C13H11BrN4O3/c14-11-4-3-10(18(20)21)6-12(11)17-13(19)5-9-2-1-8(15)7-16-9/h1-4,6-7H,5,15H2,(H,17,19)
InChIKeyIOZRFTXQPHFPGZ-UHFFFAOYSA-N
XLogP2.52
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 52.52
H-Bond Donors ≤ 52
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

2-(5-amino-2-pyridinyl)-N-(2-chloro-4-nitrophenyl)acetamide
CID 107337756
2-(5-amino-2-pyridinyl)-N-(4-bromo-2-nitrophenyl)acetamide
CID 107337837
2-(5-amino-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)acetamide
CID 107337752
2-(5-amino-2-pyridinyl)-N-(2-hydroxyphenyl)acetamide
CID 107338919
5-bromo-N-(2-bromo-5-nitrophenyl)pentanamide
CID 114014927
4-amino-N-(2-bromo-5-nitrophenyl)-2-fluorobenzamide
CID 107794756
2-bromo-5-nitroaniline;N-(2-bromo-5-nitrophenyl)acetamide
CID 87757887
2-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]acetic acid
CID 107338676
N-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide
CID 110468231
4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-chlorobenzoic acid
CID 107338917
2-(5-amino-2-pyridinyl)-N-(2-chloro-5-fluorophenyl)acetamide
CID 107528543
2-(5-amino-2-pyridinyl)-N-(2,6-diethylphenyl)acetamide
CID 107337372

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-(2-bromo-5-nitrophenyl)acetamide?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-(2-bromo-5-nitrophenyl)acetamide (CID 107339371) is 2-(5-amino-2-pyridinyl)-N-(2-bromo-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-(2-bromo-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-(2-bromo-5-nitrophenyl)acetamide is Nc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2Br)nc1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-(2-bromo-5-nitrophenyl)acetamide?
The InChIKey is IOZRFTXQPHFPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O3/c14-11-4-3-10(18(20)21)6-12(11)17-13(19)5-9-2-1-8(15)7-16-9/h1-4,6-7H,5,15H2,(H,17,19).
What are the key properties of 2-(5-amino-2-pyridinyl)-N-(2-bromo-5-nitrophenyl)acetamide?
2-(5-amino-2-pyridinyl)-N-(2-bromo-5-nitrophenyl)acetamide has a molecular weight of 351.16 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-(2-bromo-5-nitrophenyl)acetamide is sourced from PubChem (CID 107339371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).