3-chloro-N-(6-chloro-2-pyridinyl)-2-nitrobenzamide

C12H7Cl2N3O3 — CID 79946418

IUPAC3-chloro-N-(6-chloro-2-pyridinyl)-2-nitrobenzamide
SMILESO=C(Nc1cccc(Cl)n1)c1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C12H7Cl2N3O3/c13-8-4-1-3-7(11(8)17(19)20)12(18)16-10-6-2-5-9(14)15-10/h1-6H,(H,15,16,18)
InChIKeyRBONABWRONOBTE-UHFFFAOYSA-N
MW312.11 g/mol
LogP3.55
Rot. Bonds3

About 3-chloro-N-(6-chloro-2-pyridinyl)-2-nitrobenzamide

3-chloro-N-(6-chloro-2-pyridinyl)-2-nitrobenzamide (PubChem CID 79946418) has the molecular formula C12H7Cl2N3O3 and a molecular weight of 312.11 g/mol. Its IUPAC name is 3-chloro-N-(6-chloro-2-pyridinyl)-2-nitrobenzamide.

Molecular Properties

Compound Name3-chloro-N-(6-chloro-2-pyridinyl)-2-nitrobenzamide
PubChem CID79946418
Molecular FormulaC12H7Cl2N3O3
Molecular Weight312.11 g/mol
Exact Mass310.99
IUPAC Name3-chloro-N-(6-chloro-2-pyridinyl)-2-nitrobenzamide
SMILESO=C(Nc1cccc(Cl)n1)c1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C12H7Cl2N3O3/c13-8-4-1-3-7(11(8)17(19)20)12(18)16-10-6-2-5-9(14)15-10/h1-6H,(H,15,16,18)
InChIKeyRBONABWRONOBTE-UHFFFAOYSA-N
XLogP3.55
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 53.55
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

3-chloro-N-(2,6-dichlorophenyl)-2-nitrobenzamide
CID 115541090
3-chloro-2-nitro-N-pyrimidin-2-ylbenzamide
CID 79829756
3-chloro-2-nitro-N-(5-phenyl-1,2-oxazol-3-yl)benzamide
CID 75425611
2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide
CID 115683172
N-(6-chloro-2-pyridinyl)naphthalene-1-carboxamide
CID 115683288
N-(6-chloro-2-pyridinyl)-5-nitrofuran-2-carboxamide
CID 115683192
3-chloro-N-(3-iodophenyl)-2-nitrobenzamide
CID 79821868
3-chloro-N-(2-methylsulfanylphenyl)-2-nitrobenzamide
CID 79836155
N-(6-chloro-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
CID 115683291
3-chloro-N-[(4-chlorophenyl)methyl]-2-nitrobenzamide
CID 79818120
3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide
CID 22238135
5-amino-2,3-dichloro-N-(6-chloro-2-pyridinyl)benzamide
CID 107185680

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(6-chloro-2-pyridinyl)-2-nitrobenzamide?
The IUPAC name of 3-chloro-N-(6-chloro-2-pyridinyl)-2-nitrobenzamide (CID 79946418) is 3-chloro-N-(6-chloro-2-pyridinyl)-2-nitrobenzamide.
What is the SMILES notation for 3-chloro-N-(6-chloro-2-pyridinyl)-2-nitrobenzamide?
The canonical SMILES for 3-chloro-N-(6-chloro-2-pyridinyl)-2-nitrobenzamide is O=C(Nc1cccc(Cl)n1)c1cccc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 3-chloro-N-(6-chloro-2-pyridinyl)-2-nitrobenzamide?
The InChIKey is RBONABWRONOBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O3/c13-8-4-1-3-7(11(8)17(19)20)12(18)16-10-6-2-5-9(14)15-10/h1-6H,(H,15,16,18).
What are the key properties of 3-chloro-N-(6-chloro-2-pyridinyl)-2-nitrobenzamide?
3-chloro-N-(6-chloro-2-pyridinyl)-2-nitrobenzamide has a molecular weight of 312.11 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(6-chloro-2-pyridinyl)-2-nitrobenzamide is sourced from PubChem (CID 79946418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).