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

C12H8BrN3O3 — CID 4180609

IUPAC4-bromo-N-(5-nitro-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc(Br)cc1
InChIInChI=1S/C12H8BrN3O3/c13-9-3-1-8(2-4-9)12(17)15-11-6-5-10(7-14-11)16(18)19/h1-7H,(H,14,15,17)
InChIKeyPNOBPIAMISSWOG-UHFFFAOYSA-N
MW322.12 g/mol
LogP3.00
Rot. Bonds3

About 4-bromo-N-(5-nitro-2-pyridinyl)benzamide

4-bromo-N-(5-nitro-2-pyridinyl)benzamide (PubChem CID 4180609) has the molecular formula C12H8BrN3O3 and a molecular weight of 322.12 g/mol. Its IUPAC name is 4-bromo-N-(5-nitro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(5-nitro-2-pyridinyl)benzamide
PubChem CID4180609
Molecular FormulaC12H8BrN3O3
Molecular Weight322.12 g/mol
Exact Mass320.97
IUPAC Name4-bromo-N-(5-nitro-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc(Br)cc1
InChIInChI=1S/C12H8BrN3O3/c13-9-3-1-8(2-4-9)12(17)15-11-6-5-10(7-14-11)16(18)19/h1-7H,(H,14,15,17)
InChIKeyPNOBPIAMISSWOG-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

2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide
CID 62155081
3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide
CID 11834512
5-bromo-N-(5-nitro-2-pyridinyl)furan-2-carboxamide
CID 5187612
N-(4-bromo-2-pyridinyl)-4-nitrobenzamide
CID 102674414
3,5-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide
CID 2862603
3-fluoro-5-methyl-N-(5-nitro-2-pyridinyl)benzamide
CID 162519913
N-(5-bromo-2-pyridinyl)-4-(methylamino)-3-nitrobenzamide
CID 60650974
N-(5-bromo-2-pyridinyl)-4-iodobenzamide
CID 4066488
N-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
CID 60522017
N-(5-bromo-2-pyridinyl)-3-methoxy-4-nitrobenzamide
CID 115602061
N-(5-bromo-2-pyridinyl)-4-methylsulfonylbenzamide
CID 60650971
N-(5-bromo-2-pyridinyl)-4-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzamide
CID 4772348

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-nitro-2-pyridinyl)benzamide?
The IUPAC name of 4-bromo-N-(5-nitro-2-pyridinyl)benzamide (CID 4180609) is 4-bromo-N-(5-nitro-2-pyridinyl)benzamide.
What is the SMILES notation for 4-bromo-N-(5-nitro-2-pyridinyl)benzamide?
The canonical SMILES for 4-bromo-N-(5-nitro-2-pyridinyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(5-nitro-2-pyridinyl)benzamide?
The InChIKey is PNOBPIAMISSWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O3/c13-9-3-1-8(2-4-9)12(17)15-11-6-5-10(7-14-11)16(18)19/h1-7H,(H,14,15,17).
What are the key properties of 4-bromo-N-(5-nitro-2-pyridinyl)benzamide?
4-bromo-N-(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 4-bromo-N-(5-nitro-2-pyridinyl)benzamide is sourced from PubChem (CID 4180609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).