N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide

C11H9BrN4O3 — CID 60699295

IUPACN-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide
SMILESCn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C11H9BrN4O3/c1-15-6-8(16(18)19)4-9(15)11(17)14-10-3-2-7(12)5-13-10/h2-6H,1H3,(H,13,14,17)
InChIKeyBEFULICDUYSTBX-UHFFFAOYSA-N
MW325.12 g/mol
LogP2.34
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide

N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide (PubChem CID 60699295) has the molecular formula C11H9BrN4O3 and a molecular weight of 325.12 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide
PubChem CID60699295
Molecular FormulaC11H9BrN4O3
Molecular Weight325.12 g/mol
Exact Mass323.99
IUPAC NameN-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide
SMILESCn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C11H9BrN4O3/c1-15-6-8(16(18)19)4-9(15)11(17)14-10-3-2-7(12)5-13-10/h2-6H,1H3,(H,13,14,17)
InChIKeyBEFULICDUYSTBX-UHFFFAOYSA-N
XLogP2.34
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.12
LogP ≤ 52.34
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

2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide
CID 62155081
N-(4-bromo-2-ethylphenyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 80999065
N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 844632
N-(6-chloro-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 115683304
1-methyl-4-nitro-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide
CID 61393253
4-bromo-N-(5-bromo-2-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 43641337
4-bromo-N-(5-nitro-2-pyridinyl)benzamide
CID 4180609
N-(4-bromo-2-pyridinyl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 102820496
N-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide
CID 102740957
N-(5-bromo-2-pyridinyl)-4-(methylamino)-3-nitrobenzamide
CID 60650974
1-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]-3-phenylurea
CID 118706462
4-bromo-N-(2-bromo-4-nitrophenyl)-1-methylpyrrole-2-carboxamide
CID 60955681

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide (CID 60699295) is N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide is Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide?
The InChIKey is BEFULICDUYSTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O3/c1-15-6-8(16(18)19)4-9(15)11(17)14-10-3-2-7(12)5-13-10/h2-6H,1H3,(H,13,14,17).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide?
N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide has a molecular weight of 325.12 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide is sourced from PubChem (CID 60699295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).