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

C12H7Cl2N3O3 — CID 115930967

IUPAC2-chloro-N-(2-chloro-3-pyridinyl)-3-nitrobenzamide
SMILESO=C(Nc1cccnc1Cl)c1cccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C12H7Cl2N3O3/c13-10-7(3-1-5-9(10)17(19)20)12(18)16-8-4-2-6-15-11(8)14/h1-6H,(H,16,18)
InChIKeyWVTCUYUPZRRERH-UHFFFAOYSA-N
MW312.11 g/mol
LogP3.55
Rot. Bonds3

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

2-chloro-N-(2-chloro-3-pyridinyl)-3-nitrobenzamide (PubChem CID 115930967) has the molecular formula C12H7Cl2N3O3 and a molecular weight of 312.11 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-3-pyridinyl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloro-3-pyridinyl)-3-nitrobenzamide
PubChem CID115930967
Molecular FormulaC12H7Cl2N3O3
Molecular Weight312.11 g/mol
Exact Mass310.99
IUPAC Name2-chloro-N-(2-chloro-3-pyridinyl)-3-nitrobenzamide
SMILESO=C(Nc1cccnc1Cl)c1cccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C12H7Cl2N3O3/c13-10-7(3-1-5-9(10)17(19)20)12(18)16-8-4-2-6-15-11(8)14/h1-6H,(H,16,18)
InChIKeyWVTCUYUPZRRERH-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

4-chloro-N-(2-chloro-3-pyridinyl)-3,5-dinitrobenzamide
CID 4549997
2-chloro-N-[2-(hydroxymethyl)phenyl]-3-nitrobenzamide
CID 115931017
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
3-chloro-N-(2-chloro-3-pyridinyl)-4-nitrobenzamide
CID 821596
N-(2-chloro-3-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide
CID 903911
N-(5-bromo-2-nitrophenyl)-2-chloropyridine-3-carboxamide
CID 121379869
N-(2-chloro-3-pyridinyl)-4-fluoro-3-nitrobenzamide
CID 60714349
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
2-chloro-N-(2-chloro-4-methylphenyl)-3-nitrobenzamide
CID 115930887
2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide
CID 17102197
2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide
CID 115931016
2-acetamido-N-(2-chloro-3-pyridinyl)benzamide
CID 13143772

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloro-3-pyridinyl)-3-nitrobenzamide?
The IUPAC name of 2-chloro-N-(2-chloro-3-pyridinyl)-3-nitrobenzamide (CID 115930967) is 2-chloro-N-(2-chloro-3-pyridinyl)-3-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(2-chloro-3-pyridinyl)-3-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(2-chloro-3-pyridinyl)-3-nitrobenzamide is O=C(Nc1cccnc1Cl)c1cccc([N+](=O)[O-])c1Cl.
What is the InChIKey of 2-chloro-N-(2-chloro-3-pyridinyl)-3-nitrobenzamide?
The InChIKey is WVTCUYUPZRRERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O3/c13-10-7(3-1-5-9(10)17(19)20)12(18)16-8-4-2-6-15-11(8)14/h1-6H,(H,16,18).
What are the key properties of 2-chloro-N-(2-chloro-3-pyridinyl)-3-nitrobenzamide?
2-chloro-N-(2-chloro-3-pyridinyl)-3-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 2-chloro-N-(2-chloro-3-pyridinyl)-3-nitrobenzamide is sourced from PubChem (CID 115930967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).