N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzamide

C13H10BrN3O3 — CID 79733435

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzamide
SMILESCc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ncc1Br
InChIInChI=1S/C13H10BrN3O3/c1-8-6-12(15-7-10(8)14)16-13(18)9-4-2-3-5-11(9)17(19)20/h2-7H,1H3,(H,15,16,18)
InChIKeyOVBSNNCXUAZSBQ-UHFFFAOYSA-N
MW336.15 g/mol
LogP3.31
Rot. Bonds3

About N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzamide

N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzamide (PubChem CID 79733435) has the molecular formula C13H10BrN3O3 and a molecular weight of 336.15 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzamide
PubChem CID79733435
Molecular FormulaC13H10BrN3O3
Molecular Weight336.15 g/mol
Exact Mass334.99
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzamide
SMILESCc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ncc1Br
InChIInChI=1S/C13H10BrN3O3/c1-8-6-12(15-7-10(8)14)16-13(18)9-4-2-3-5-11(9)17(19)20/h2-7H,1H3,(H,15,16,18)
InChIKeyOVBSNNCXUAZSBQ-UHFFFAOYSA-N
XLogP3.31
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 53.31
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-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-2-nitrobenzamide
CID 115693167
N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-5-nitrobenzamide
CID 79736442
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 113339789
N-(5-bromo-4-methyl-2-pyridinyl)-2-chloro-4-nitrobenzamide
CID 79735970
N-(6-methylpyridazin-3-yl)-2-nitrobenzamide
CID 176835874
N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-methylbenzamide
CID 107096916
N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzenesulfonamide
CID 79736459
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide
CID 81232858
N-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-5-nitrobenzamide
CID 115681603
N-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide
CID 79733422
N-(5-bromo-4-methyl-2-pyridinyl)-1H-indole-7-carboxamide
CID 79733331
N-(5-bromo-4-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide
CID 79729705

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzamide (CID 79733435) is N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzamide is Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzamide?
The InChIKey is OVBSNNCXUAZSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O3/c1-8-6-12(15-7-10(8)14)16-13(18)9-4-2-3-5-11(9)17(19)20/h2-7H,1H3,(H,15,16,18).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzamide?
N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzamide has a molecular weight of 336.15 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzamide is sourced from PubChem (CID 79733435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).