N-(5-bromo-2-chloro-3-pyridinyl)-5-nitrothiophene-2-carboxamide

C10H5BrClN3O3S — CID 102979230

IUPACN-(5-bromo-2-chloro-3-pyridinyl)-5-nitrothiophene-2-carboxamide
SMILESO=C(Nc1cc(Br)cnc1Cl)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C10H5BrClN3O3S/c11-5-3-6(9(12)13-4-5)14-10(16)7-1-2-8(19-7)15(17)18/h1-4H,(H,14,16)
InChIKeyTZBHHWJSBNPQNH-UHFFFAOYSA-N
MW362.59 g/mol
LogP3.72
Rot. Bonds3

About N-(5-bromo-2-chloro-3-pyridinyl)-5-nitrothiophene-2-carboxamide

N-(5-bromo-2-chloro-3-pyridinyl)-5-nitrothiophene-2-carboxamide (PubChem CID 102979230) has the molecular formula C10H5BrClN3O3S and a molecular weight of 362.59 g/mol. Its IUPAC name is N-(5-bromo-2-chloro-3-pyridinyl)-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-chloro-3-pyridinyl)-5-nitrothiophene-2-carboxamide
PubChem CID102979230
Molecular FormulaC10H5BrClN3O3S
Molecular Weight362.59 g/mol
Exact Mass360.89
IUPAC NameN-(5-bromo-2-chloro-3-pyridinyl)-5-nitrothiophene-2-carboxamide
SMILESO=C(Nc1cc(Br)cnc1Cl)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C10H5BrClN3O3S/c11-5-3-6(9(12)13-4-5)14-10(16)7-1-2-8(19-7)15(17)18/h1-4H,(H,14,16)
InChIKeyTZBHHWJSBNPQNH-UHFFFAOYSA-N
XLogP3.72
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.59
LogP ≤ 53.72
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'}

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Related Compounds

N-(2-bromo-5-chlorophenyl)-5-nitrothiophene-2-carboxamide
CID 113266436
N-hydroxy-5-nitrothiophene-2-carboxamide
CID 103601594
N-(5-bromo-2-chloro-3-pyridinyl)-3-fluoro-5-nitrobenzamide
CID 102979345
ethane;N-(3-hydroxy-4-pyridinyl)-5-nitrothiophene-2-carboxamide
CID 143408110
N-(5-bromo-2-chloro-3-pyridinyl)-2-hydroxybenzamide
CID 102979359
N'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide
CID 26662499
N-(3-bromo-4-fluorophenyl)-5-nitrothiophene-2-carboxamide
CID 113245227
5-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid
CID 61406295
N-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide
CID 102979160
N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 102979453
5-bromo-N-(5-bromo-2-chloro-3-pyridinyl)thiophene-3-carboxamide
CID 102979240
N-(5-bromo-2-chloro-3-pyridinyl)quinoline-2-carboxamide
CID 102979115

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)-5-nitrothiophene-2-carboxamide (CID 102979230) is N-(5-bromo-2-chloro-3-pyridinyl)-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-chloro-3-pyridinyl)-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-chloro-3-pyridinyl)-5-nitrothiophene-2-carboxamide is O=C(Nc1cc(Br)cnc1Cl)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of N-(5-bromo-2-chloro-3-pyridinyl)-5-nitrothiophene-2-carboxamide?
The InChIKey is TZBHHWJSBNPQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClN3O3S/c11-5-3-6(9(12)13-4-5)14-10(16)7-1-2-8(19-7)15(17)18/h1-4H,(H,14,16).
What are the key properties of N-(5-bromo-2-chloro-3-pyridinyl)-5-nitrothiophene-2-carboxamide?
N-(5-bromo-2-chloro-3-pyridinyl)-5-nitrothiophene-2-carboxamide has a molecular weight of 362.59 g/mol, XLogP of 3.72, 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-chloro-3-pyridinyl)-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 102979230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).