5-bromo-2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)benzamide

C12H6BrCl2N3O3 — CID 104820206

IUPAC5-bromo-2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)benzamide
SMILESO=C(Nc1nc(Cl)ccc1[N+](=O)[O-])c1cc(Br)ccc1Cl
InChIInChI=1S/C12H6BrCl2N3O3/c13-6-1-2-8(14)7(5-6)12(19)17-11-9(18(20)21)3-4-10(15)16-11/h1-5H,(H,16,17,19)
InChIKeyRMNLCFGHYTZYLO-UHFFFAOYSA-N
MW391.01 g/mol
LogP4.31
Rot. Bonds3

About 5-bromo-2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)benzamide

5-bromo-2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)benzamide (PubChem CID 104820206) has the molecular formula C12H6BrCl2N3O3 and a molecular weight of 391.01 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)benzamide
PubChem CID104820206
Molecular FormulaC12H6BrCl2N3O3
Molecular Weight391.01 g/mol
Exact Mass388.90
IUPAC Name5-bromo-2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)benzamide
SMILESO=C(Nc1nc(Cl)ccc1[N+](=O)[O-])c1cc(Br)ccc1Cl
InChIInChI=1S/C12H6BrCl2N3O3/c13-6-1-2-8(14)7(5-6)12(19)17-11-9(18(20)21)3-4-10(15)16-11/h1-5H,(H,16,17,19)
InChIKeyRMNLCFGHYTZYLO-UHFFFAOYSA-N
XLogP4.31
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.01
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(6-chloro-3-nitro-2-pyridinyl)-2,5-dimethylbenzamide
CID 104820207
N-(6-chloro-3-nitro-2-pyridinyl)-2-fluorobenzamide
CID 115576061
N-(6-chloro-3-nitro-2-pyridinyl)-2-iodobenzamide
CID 104820266
N-(6-chloro-3-nitro-2-pyridinyl)-3,5-dimethylbenzamide
CID 115576070
3-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-4-fluorobenzamide
CID 104820375
N-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide
CID 104820312
5-bromo-2-chloro-N-(4-methyl-2-nitrophenyl)benzamide
CID 2886785
2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-6-fluorobenzamide
CID 104820349
N-(6-chloro-3-nitro-2-pyridinyl)pyrazine-2-carboxamide
CID 104820251
N-(6-chloro-3-nitro-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide
CID 104820409
N-(6-chloro-3-nitro-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 104820299
N-(6-chloro-3-nitro-2-pyridinyl)-1,5-dimethylpyrrole-2-carboxamide
CID 104820470

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)benzamide (CID 104820206) is 5-bromo-2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)benzamide is O=C(Nc1nc(Cl)ccc1[N+](=O)[O-])c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)benzamide?
The InChIKey is RMNLCFGHYTZYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl2N3O3/c13-6-1-2-8(14)7(5-6)12(19)17-11-9(18(20)21)3-4-10(15)16-11/h1-5H,(H,16,17,19).
What are the key properties of 5-bromo-2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)benzamide?
5-bromo-2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)benzamide has a molecular weight of 391.01 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)benzamide is sourced from PubChem (CID 104820206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).