2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide

C13H9Cl2N3O3 — CID 17102197

IUPAC2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C13H9Cl2N3O3/c1-7-5-11(18(20)21)9(14)6-10(7)17-13(19)8-3-2-4-16-12(8)15/h2-6H,1H3,(H,17,19)
InChIKeyTUNCGVVGYXWBOH-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.86
Rot. Bonds3

About 2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide

2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide (PubChem CID 17102197) has the molecular formula C13H9Cl2N3O3 and a molecular weight of 326.14 g/mol. Its IUPAC name is 2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide
PubChem CID17102197
Molecular FormulaC13H9Cl2N3O3
Molecular Weight326.14 g/mol
Exact Mass325.00
IUPAC Name2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C13H9Cl2N3O3/c1-7-5-11(18(20)21)9(14)6-10(7)17-13(19)8-3-2-4-16-12(8)15/h2-6H,1H3,(H,17,19)
InChIKeyTUNCGVVGYXWBOH-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

3-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 107519314
2-chloro-N-(3-methyl-4-nitrophenyl)pyridine-3-carboxamide
CID 60722571
N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxy-3-methylbenzamide
CID 17102198
N-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide
CID 3683466
N-(5-bromo-2-nitrophenyl)-2-chloropyridine-3-carboxamide
CID 121379869
2-chloro-N-(4-cyano-2-nitrophenyl)pyridine-3-carboxamide
CID 78965092
2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 9097781
N-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide
CID 104668259
3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide
CID 17102161
N-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide
CID 2910019
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide
CID 103274583
2-chloro-N-(2-chloro-3-pyridinyl)-3-nitrobenzamide
CID 115930967

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide (CID 17102197) is 2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide is Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide?
The InChIKey is TUNCGVVGYXWBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O3/c1-7-5-11(18(20)21)9(14)6-10(7)17-13(19)8-3-2-4-16-12(8)15/h2-6H,1H3,(H,17,19).
What are the key properties of 2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide?
2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide 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-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 17102197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).