2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide

C12H9BrN4O3 — CID 62155081

IUPAC2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide
SMILESNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C12H9BrN4O3/c13-7-1-4-11(15-6-7)16-12(18)9-5-8(17(19)20)2-3-10(9)14/h1-6H,14H2,(H,15,16,18)
InChIKeyZKBLSMBBDBFMRM-UHFFFAOYSA-N
MW337.13 g/mol
LogP2.59
Rot. Bonds3

About 2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide

2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide (PubChem CID 62155081) has the molecular formula C12H9BrN4O3 and a molecular weight of 337.13 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide
PubChem CID62155081
Molecular FormulaC12H9BrN4O3
Molecular Weight337.13 g/mol
Exact Mass335.99
IUPAC Name2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide
SMILESNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C12H9BrN4O3/c13-7-1-4-11(15-6-7)16-12(18)9-5-8(17(19)20)2-3-10(9)14/h1-6H,14H2,(H,15,16,18)
InChIKeyZKBLSMBBDBFMRM-UHFFFAOYSA-N
XLogP2.59
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.13
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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2-amino-N-(5-bromo-2-pyridinyl)benzamide
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N-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide
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N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-5-nitrobenzamide
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N-(5-chloro-2-pyridinyl)-2-hydrazinyl-5-nitrobenzamide
CID 62242361
2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzamide
CID 28893277
4-amino-N-(5-bromo-2-pyridinyl)-3-hydroxybenzamide
CID 107073952
5-amino-N-(5-bromo-2-pyridinyl)-2,4-difluorobenzamide
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2-amino-N-(3-bromophenyl)-5-nitrobenzamide
CID 62156590

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide?
The IUPAC name of 2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide (CID 62155081) is 2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide?
The canonical SMILES for 2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide is Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)cn1.
What is the InChIKey of 2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide?
The InChIKey is ZKBLSMBBDBFMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O3/c13-7-1-4-11(15-6-7)16-12(18)9-5-8(17(19)20)2-3-10(9)14/h1-6H,14H2,(H,15,16,18).
What are the key properties of 2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide?
2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide has a molecular weight of 337.13 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide is sourced from PubChem (CID 62155081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).