N-(3-bromo-5-nitro-2-pyridinyl)benzamide

C12H8BrN3O3 — CID 19784083

IUPACN-(3-bromo-5-nitro-2-pyridinyl)benzamide
SMILESO=C(Nc1ncc([N+](=O)[O-])cc1Br)c1ccccc1
InChIInChI=1S/C12H8BrN3O3/c13-10-6-9(16(18)19)7-14-11(10)15-12(17)8-4-2-1-3-5-8/h1-7H,(H,14,15,17)
InChIKeyQGJVAUPGZXBQRL-UHFFFAOYSA-N
MW322.12 g/mol
LogP3.00
Rot. Bonds3

About N-(3-bromo-5-nitro-2-pyridinyl)benzamide

N-(3-bromo-5-nitro-2-pyridinyl)benzamide (PubChem CID 19784083) has the molecular formula C12H8BrN3O3 and a molecular weight of 322.12 g/mol. Its IUPAC name is N-(3-bromo-5-nitro-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(3-bromo-5-nitro-2-pyridinyl)benzamide
PubChem CID19784083
Molecular FormulaC12H8BrN3O3
Molecular Weight322.12 g/mol
Exact Mass320.97
IUPAC NameN-(3-bromo-5-nitro-2-pyridinyl)benzamide
SMILESO=C(Nc1ncc([N+](=O)[O-])cc1Br)c1ccccc1
InChIInChI=1S/C12H8BrN3O3/c13-10-6-9(16(18)19)7-14-11(10)15-12(17)8-4-2-1-3-5-8/h1-7H,(H,14,15,17)
InChIKeyQGJVAUPGZXBQRL-UHFFFAOYSA-N
XLogP3.00
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.12
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3,5-dibromo-2-pyridinyl)-3-nitrobenzamide
CID 1099233
N-(3-bromo-5-chloro-2-pyridinyl)benzamide
CID 121012256
3-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzamide
CID 110495932
N-(3-hydroxy-5-nitro-2-pyridinyl)-3,5-dinitrobenzamide
CID 110496009
N-(3-hydroxy-5-nitro-2-pyridinyl)-4-oxo-4-phenylbutanamide
CID 110496026
3-bromo-5-nitro-N-(2-phenylpropyl)pyridin-2-amine
CID 104591694
3-bromo-5-nitro-N-(1-phenylpropyl)pyridin-2-amine
CID 79534888
3-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 113415973
3-bromo-N-tert-butyl-5-nitropyridin-2-amine
CID 82488870
3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine
CID 79535230
N-benzoyl-5-nitropyridine-2-carboxamide
CID 21405378
(2S)-2-[(3-bromo-5-nitro-2-pyridinyl)amino]hexanoic acid
CID 122062843

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-nitro-2-pyridinyl)benzamide?
The IUPAC name of N-(3-bromo-5-nitro-2-pyridinyl)benzamide (CID 19784083) is N-(3-bromo-5-nitro-2-pyridinyl)benzamide.
What is the SMILES notation for N-(3-bromo-5-nitro-2-pyridinyl)benzamide?
The canonical SMILES for N-(3-bromo-5-nitro-2-pyridinyl)benzamide is O=C(Nc1ncc([N+](=O)[O-])cc1Br)c1ccccc1.
What is the InChIKey of N-(3-bromo-5-nitro-2-pyridinyl)benzamide?
The InChIKey is QGJVAUPGZXBQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O3/c13-10-6-9(16(18)19)7-14-11(10)15-12(17)8-4-2-1-3-5-8/h1-7H,(H,14,15,17).
What are the key properties of N-(3-bromo-5-nitro-2-pyridinyl)benzamide?
N-(3-bromo-5-nitro-2-pyridinyl)benzamide has a molecular weight of 322.12 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-nitro-2-pyridinyl)benzamide is sourced from PubChem (CID 19784083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).