N-(5-bromo-6-chloro-3-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide

C11H8BrClN4O3 — CID 104624620

IUPACN-(5-bromo-6-chloro-3-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2cnc(Cl)c(Br)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H8BrClN4O3/c1-16-8(2-3-9(16)17(19)20)11(18)15-6-4-7(12)10(13)14-5-6/h2-5H,1H3,(H,15,18)
InChIKeyXTXVNPLDYQMFHJ-UHFFFAOYSA-N
MW359.57 g/mol
LogP3.00
Rot. Bonds3

About N-(5-bromo-6-chloro-3-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide

N-(5-bromo-6-chloro-3-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide (PubChem CID 104624620) has the molecular formula C11H8BrClN4O3 and a molecular weight of 359.57 g/mol. Its IUPAC name is N-(5-bromo-6-chloro-3-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-chloro-3-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide
PubChem CID104624620
Molecular FormulaC11H8BrClN4O3
Molecular Weight359.57 g/mol
Exact Mass357.95
IUPAC NameN-(5-bromo-6-chloro-3-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2cnc(Cl)c(Br)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H8BrClN4O3/c1-16-8(2-3-9(16)17(19)20)11(18)15-6-4-7(12)10(13)14-5-6/h2-5H,1H3,(H,15,18)
InChIKeyXTXVNPLDYQMFHJ-UHFFFAOYSA-N
XLogP3.00
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.57
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(5-bromo-6-chloro-3-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-nitrobenzamide
CID 103816409
N-(5-bromo-6-methyl-2-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide
CID 79048284
N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-6-nitrobenzamide
CID 107143575
N-[4-(2-chloroethyl)phenyl]-1-methyl-5-nitropyrrole-2-carboxamide
CID 114299129
N-(3-ethynylphenyl)-1-methyl-5-nitropyrrole-2-carboxamide
CID 60714275
N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide
CID 113267904
1-methyl-5-nitro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrole-2-carboxamide;hydrochloride
CID 119581212
N-(5-bromo-6-chloro-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide
CID 114050566
N-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide
CID 114050552
1-methyl-5-nitro-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrole-2-carboxamide
CID 119547379
N-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide
CID 103816473
2-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-methylbenzamide
CID 113434241

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide?
The IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide (CID 104624620) is N-(5-bromo-6-chloro-3-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide.
What is the SMILES notation for N-(5-bromo-6-chloro-3-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide?
The canonical SMILES for N-(5-bromo-6-chloro-3-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide is Cn1c(C(=O)Nc2cnc(Cl)c(Br)c2)ccc1[N+](=O)[O-].
What is the InChIKey of N-(5-bromo-6-chloro-3-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide?
The InChIKey is XTXVNPLDYQMFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN4O3/c1-16-8(2-3-9(16)17(19)20)11(18)15-6-4-7(12)10(13)14-5-6/h2-5H,1H3,(H,15,18).
What are the key properties of N-(5-bromo-6-chloro-3-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide?
N-(5-bromo-6-chloro-3-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide has a molecular weight of 359.57 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-chloro-3-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide is sourced from PubChem (CID 104624620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).