2-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-6-nitrobenzamide

C13H9Cl2N3O3 — CID 103730390

IUPAC2-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-6-nitrobenzamide
SMILESCc1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cnc1Cl
InChIInChI=1S/C13H9Cl2N3O3/c1-7-5-8(6-16-12(7)15)17-13(19)11-9(14)3-2-4-10(11)18(20)21/h2-6H,1H3,(H,17,19)
InChIKeyOKMTVRFCJYHLLN-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.86
Rot. Bonds3

About 2-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-6-nitrobenzamide

2-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-6-nitrobenzamide (PubChem CID 103730390) has the molecular formula C13H9Cl2N3O3 and a molecular weight of 326.14 g/mol. Its IUPAC name is 2-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-6-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-6-nitrobenzamide
PubChem CID103730390
Molecular FormulaC13H9Cl2N3O3
Molecular Weight326.14 g/mol
Exact Mass325.00
IUPAC Name2-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-6-nitrobenzamide
SMILESCc1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cnc1Cl
InChIInChI=1S/C13H9Cl2N3O3/c1-7-5-8(6-16-12(7)15)17-13(19)11-9(14)3-2-4-10(11)18(20)21/h2-6H,1H3,(H,17,19)
InChIKeyOKMTVRFCJYHLLN-UHFFFAOYSA-N
XLogP3.86
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 53.86
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-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-6-nitrobenzamide
CID 107143575
2-chloro-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide
CID 112691406
2-chloro-N-(3-hydroxy-2-pyridinyl)-6-nitrobenzamide
CID 75520228
2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-nitrobenzamide
CID 122150973
N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
CID 103730447
5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzamide
CID 103842318
N-(6-chloro-5-methyl-3-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113366853
N-(6-chloro-5-methyl-3-pyridinyl)-3-hydroxypyridine-2-carboxamide
CID 104954751
2-methyl-N-(4-methyl-1H-indazol-6-yl)-6-nitrobenzamide
CID 122150956
1-(2-chloro-6-nitrophenyl)-2-methylpropan-1-one
CID 146654141
2-chloro-6-nitro-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide
CID 71876742
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 107363154

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-6-nitrobenzamide?
The IUPAC name of 2-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-6-nitrobenzamide (CID 103730390) is 2-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-6-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-6-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-6-nitrobenzamide is Cc1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cnc1Cl.
What is the InChIKey of 2-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-6-nitrobenzamide?
The InChIKey is OKMTVRFCJYHLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O3/c1-7-5-8(6-16-12(7)15)17-13(19)11-9(14)3-2-4-10(11)18(20)21/h2-6H,1H3,(H,17,19).
What are the key properties of 2-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-6-nitrobenzamide?
2-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-6-nitrobenzamide has a molecular weight of 326.14 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-6-nitrobenzamide is sourced from PubChem (CID 103730390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).