N-(4-bromo-2-pyridinyl)-4-nitrobenzamide

C12H8BrN3O3 — CID 102674414

IUPACN-(4-bromo-2-pyridinyl)-4-nitrobenzamide
SMILESO=C(Nc1cc(Br)ccn1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H8BrN3O3/c13-9-5-6-14-11(7-9)15-12(17)8-1-3-10(4-2-8)16(18)19/h1-7H,(H,14,15,17)
InChIKeyJQUBBXHRJKOSRV-UHFFFAOYSA-N
MW322.12 g/mol
LogP3.00
Rot. Bonds3

About N-(4-bromo-2-pyridinyl)-4-nitrobenzamide

N-(4-bromo-2-pyridinyl)-4-nitrobenzamide (PubChem CID 102674414) has the molecular formula C12H8BrN3O3 and a molecular weight of 322.12 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-4-nitrobenzamide
PubChem CID102674414
Molecular FormulaC12H8BrN3O3
Molecular Weight322.12 g/mol
Exact Mass320.97
IUPAC NameN-(4-bromo-2-pyridinyl)-4-nitrobenzamide
SMILESO=C(Nc1cc(Br)ccn1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H8BrN3O3/c13-9-5-6-14-11(7-9)15-12(17)8-1-3-10(4-2-8)16(18)19/h1-7H,(H,14,15,17)
InChIKeyJQUBBXHRJKOSRV-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

3-bromo-N-(4-nitro-2-pyridinyl)benzamide
CID 3011463
4-chloro-N-(4-nitro-2-pyridinyl)benzamide
CID 3011452
4-bromo-N-(5-nitro-2-pyridinyl)benzamide
CID 4180609
N-(4-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
CID 102674107
6-bromo-N-(4-bromo-2-pyridinyl)naphthalene-2-carboxamide
CID 102820628
4-nitro-N-[6-[(4-nitrobenzoyl)amino]-2-pyridinyl]benzamide
CID 4320566
N-(4-bromo-2-pyridinyl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 102820496
N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide
CID 62908932
N-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide
CID 102674424
3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide
CID 3455243
N-(4-bromo-2-pyridinyl)-4-hydroxy-3-methylbenzamide
CID 107674194
N-(4-bromo-2-pyridinyl)-2,5-difluoro-3-nitrobenzamide
CID 107122453

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-4-nitrobenzamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-4-nitrobenzamide (CID 102674414) is N-(4-bromo-2-pyridinyl)-4-nitrobenzamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-4-nitrobenzamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-4-nitrobenzamide is O=C(Nc1cc(Br)ccn1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-4-nitrobenzamide?
The InChIKey is JQUBBXHRJKOSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O3/c13-9-5-6-14-11(7-9)15-12(17)8-1-3-10(4-2-8)16(18)19/h1-7H,(H,14,15,17).
What are the key properties of N-(4-bromo-2-pyridinyl)-4-nitrobenzamide?
N-(4-bromo-2-pyridinyl)-4-nitrobenzamide 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-(4-bromo-2-pyridinyl)-4-nitrobenzamide is sourced from PubChem (CID 102674414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).