2-chloro-N-(2-chloro-4-methylphenyl)-5-nitropyridine-3-carboxamide

C13H9Cl2N3O3 — CID 103817011

IUPAC2-chloro-N-(2-chloro-4-methylphenyl)-5-nitropyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl2N3O3/c1-7-2-3-11(10(14)4-7)17-13(19)9-5-8(18(20)21)6-16-12(9)15/h2-6H,1H3,(H,17,19)
InChIKeyLPRFVXNWFYTVTG-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.86
Rot. Bonds3

About 2-chloro-N-(2-chloro-4-methylphenyl)-5-nitropyridine-3-carboxamide

2-chloro-N-(2-chloro-4-methylphenyl)-5-nitropyridine-3-carboxamide (PubChem CID 103817011) has the molecular formula C13H9Cl2N3O3 and a molecular weight of 326.14 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-4-methylphenyl)-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloro-4-methylphenyl)-5-nitropyridine-3-carboxamide
PubChem CID103817011
Molecular FormulaC13H9Cl2N3O3
Molecular Weight326.14 g/mol
Exact Mass325.00
IUPAC Name2-chloro-N-(2-chloro-4-methylphenyl)-5-nitropyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl2N3O3/c1-7-2-3-11(10(14)4-7)17-13(19)9-5-8(18(20)21)6-16-12(9)15/h2-6H,1H3,(H,17,19)
InChIKeyLPRFVXNWFYTVTG-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-(2-chloro-4-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963066
2-chloro-N-(3-chloro-2-fluorophenyl)-5-nitropyridine-3-carboxamide
CID 103916955
2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide
CID 81003282
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
2-chloro-N-[(3-methylphenyl)methyl]-5-nitropyridine-3-carboxamide
CID 103803534
2-chloro-N-(2-chloro-4-methylphenyl)-3-nitrobenzamide
CID 115930887
5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide
CID 62001176
N-(2-chloro-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 23853374
2-chloro-5-nitro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 113264937
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-methylbenzamide
CID 106509889
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224
2-chloro-5-nitropyridine-3-carboxylic acid;ethane
CID 142859548

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloro-4-methylphenyl)-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-chloro-4-methylphenyl)-5-nitropyridine-3-carboxamide (CID 103817011) is 2-chloro-N-(2-chloro-4-methylphenyl)-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-chloro-4-methylphenyl)-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-chloro-4-methylphenyl)-5-nitropyridine-3-carboxamide is Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-chloro-4-methylphenyl)-5-nitropyridine-3-carboxamide?
The InChIKey is LPRFVXNWFYTVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O3/c1-7-2-3-11(10(14)4-7)17-13(19)9-5-8(18(20)21)6-16-12(9)15/h2-6H,1H3,(H,17,19).
What are the key properties of 2-chloro-N-(2-chloro-4-methylphenyl)-5-nitropyridine-3-carboxamide?
2-chloro-N-(2-chloro-4-methylphenyl)-5-nitropyridine-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-(2-chloro-4-methylphenyl)-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 103817011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).