N-(3,5-dibromo-2-pyridinyl)-3-nitrobenzamide

C12H7Br2N3O3 — CID 1099233

IUPACN-(3,5-dibromo-2-pyridinyl)-3-nitrobenzamide
SMILESO=C(Nc1ncc(Br)cc1Br)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H7Br2N3O3/c13-8-5-10(14)11(15-6-8)16-12(18)7-2-1-3-9(4-7)17(19)20/h1-6H,(H,15,16,18)
InChIKeyPACPMQQHWWIZLU-UHFFFAOYSA-N
MW401.01 g/mol
LogP3.77
Rot. Bonds3

About N-(3,5-dibromo-2-pyridinyl)-3-nitrobenzamide

N-(3,5-dibromo-2-pyridinyl)-3-nitrobenzamide (PubChem CID 1099233) has the molecular formula C12H7Br2N3O3 and a molecular weight of 401.01 g/mol. Its IUPAC name is N-(3,5-dibromo-2-pyridinyl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3,5-dibromo-2-pyridinyl)-3-nitrobenzamide
PubChem CID1099233
Molecular FormulaC12H7Br2N3O3
Molecular Weight401.01 g/mol
Exact Mass398.89
IUPAC NameN-(3,5-dibromo-2-pyridinyl)-3-nitrobenzamide
SMILESO=C(Nc1ncc(Br)cc1Br)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H7Br2N3O3/c13-8-5-10(14)11(15-6-8)16-12(18)7-2-1-3-9(4-7)17(19)20/h1-6H,(H,15,16,18)
InChIKeyPACPMQQHWWIZLU-UHFFFAOYSA-N
XLogP3.77
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.01
LogP ≤ 53.77
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-bromo-5-nitro-2-pyridinyl)benzamide
CID 19784083
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
2-bromo-N'-(3-nitrobenzoyl)benzohydrazide
CID 3817940
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
3-bromo-N-(4-nitro-2-pyridinyl)benzamide
CID 3011463
N-(2-bromo-5-chlorophenyl)-3-nitrobenzamide
CID 81272714
N-(3,5-dimethylphenyl)-3-nitrobenzamide
CID 710720
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-nitrobenzamide
CID 19403842
N-(3,5-dibromo-2-pyridinyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 134124329
3-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 3807378
3-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzamide
CID 110495932
2-[(3,5-dibromo-2-pyridinyl)-(3-nitrobenzoyl)carbamoyl]benzoic acid
CID 1034767

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromo-2-pyridinyl)-3-nitrobenzamide?
The IUPAC name of N-(3,5-dibromo-2-pyridinyl)-3-nitrobenzamide (CID 1099233) is N-(3,5-dibromo-2-pyridinyl)-3-nitrobenzamide.
What is the SMILES notation for N-(3,5-dibromo-2-pyridinyl)-3-nitrobenzamide?
The canonical SMILES for N-(3,5-dibromo-2-pyridinyl)-3-nitrobenzamide is O=C(Nc1ncc(Br)cc1Br)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3,5-dibromo-2-pyridinyl)-3-nitrobenzamide?
The InChIKey is PACPMQQHWWIZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2N3O3/c13-8-5-10(14)11(15-6-8)16-12(18)7-2-1-3-9(4-7)17(19)20/h1-6H,(H,15,16,18).
What are the key properties of N-(3,5-dibromo-2-pyridinyl)-3-nitrobenzamide?
N-(3,5-dibromo-2-pyridinyl)-3-nitrobenzamide has a molecular weight of 401.01 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromo-2-pyridinyl)-3-nitrobenzamide is sourced from PubChem (CID 1099233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).