5-bromo-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-2-carboxamide

C12H9BrN4O3 — CID 75513075

IUPAC5-bromo-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-2-carboxamide
SMILESCc1nc(NC(=O)c2ccc(Br)cn2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H9BrN4O3/c1-7-10(17(19)20)4-5-11(15-7)16-12(18)9-3-2-8(13)6-14-9/h2-6H,1H3,(H,15,16,18)
InChIKeyUXAXRXSDCXOWOL-UHFFFAOYSA-N
MW337.13 g/mol
LogP2.71
Rot. Bonds3

About 5-bromo-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-2-carboxamide

5-bromo-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-2-carboxamide (PubChem CID 75513075) has the molecular formula C12H9BrN4O3 and a molecular weight of 337.13 g/mol. Its IUPAC name is 5-bromo-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-2-carboxamide
PubChem CID75513075
Molecular FormulaC12H9BrN4O3
Molecular Weight337.13 g/mol
Exact Mass335.99
IUPAC Name5-bromo-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-2-carboxamide
SMILESCc1nc(NC(=O)c2ccc(Br)cn2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H9BrN4O3/c1-7-10(17(19)20)4-5-11(15-7)16-12(18)9-3-2-8(13)6-14-9/h2-6H,1H3,(H,15,16,18)
InChIKeyUXAXRXSDCXOWOL-UHFFFAOYSA-N
XLogP2.71
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.13
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-2-pyridinyl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 844632
3-fluoro-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-4-carboxamide
CID 71849348
N-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide
CID 102740957
N-(5-bromo-2-pyridinyl)-3-methoxy-4-nitrobenzamide
CID 115602061
2-methoxy-N-(6-methyl-5-nitro-2-pyridinyl)acetamide
CID 67266270
N-(5-bromo-2-pyridinyl)-4-(methylamino)-3-nitrobenzamide
CID 60650974
N-(5-acetyl-2-pyridinyl)-5-bromopyridine-2-carboxamide
CID 75514307
5-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 55153633
5-bromo-N-(6-oxo-1H-pyridazin-3-yl)pyridine-2-carboxamide
CID 116787224
6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62958252
4-cyano-1-methyl-N-(6-methyl-5-nitro-2-pyridinyl)pyrrole-2-carboxamide
CID 71917363
N-(5-bromo-2-pyridinyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642521

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-2-carboxamide (CID 75513075) is 5-bromo-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-2-carboxamide is Cc1nc(NC(=O)c2ccc(Br)cn2)ccc1[N+](=O)[O-].
What is the InChIKey of 5-bromo-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-2-carboxamide?
The InChIKey is UXAXRXSDCXOWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O3/c1-7-10(17(19)20)4-5-11(15-7)16-12(18)9-3-2-8(13)6-14-9/h2-6H,1H3,(H,15,16,18).
What are the key properties of 5-bromo-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-2-carboxamide?
5-bromo-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-2-carboxamide has a molecular weight of 337.13 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 75513075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).