3,6-dichloro-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide

C13H9Cl2N3O3 — CID 60651020

IUPAC3,6-dichloro-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2N3O3/c1-7-6-8(18(20)21)2-4-10(7)16-13(19)12-9(14)3-5-11(15)17-12/h2-6H,1H3,(H,16,19)
InChIKeyIZBOOPWJQQCCGF-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.86
Rot. Bonds3

About 3,6-dichloro-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide

3,6-dichloro-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide (PubChem CID 60651020) has the molecular formula C13H9Cl2N3O3 and a molecular weight of 326.14 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide
PubChem CID60651020
Molecular FormulaC13H9Cl2N3O3
Molecular Weight326.14 g/mol
Exact Mass325.00
IUPAC Name3,6-dichloro-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2N3O3/c1-7-6-8(18(20)21)2-4-10(7)16-13(19)12-9(14)3-5-11(15)17-12/h2-6H,1H3,(H,16,19)
InChIKeyIZBOOPWJQQCCGF-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

3,6-dichloro-N-(2-methylphenyl)pyridine-2-carboxamide
CID 26914379
3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide
CID 2913893
3,6-dichloro-N-(2-nitrophenyl)pyridine-2-carboxamide
CID 60651008
4-chloro-1-methyl-N-(2-methyl-4-nitrophenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267913
2-amino-5-chloro-N-(2-methyl-4-nitrophenyl)pyridine-4-carboxamide
CID 114922911
3,6-dichloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-2-carboxamide
CID 61052606
N-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide
CID 104723154
N-(6-bromo-2-methyl-3-pyridinyl)-3,6-dichloropyridine-2-carboxamide
CID 103909595
6-chloro-N-(2-chloro-4-nitrophenyl)pyridine-2-carboxamide
CID 62234009
[(2R)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 3,6-dichloropyridine-2-carboxylate
CID 51466786
3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 26364309
N-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963040

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide (CID 60651020) is 3,6-dichloro-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide?
The InChIKey is IZBOOPWJQQCCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O3/c1-7-6-8(18(20)21)2-4-10(7)16-13(19)12-9(14)3-5-11(15)17-12/h2-6H,1H3,(H,16,19).
What are the key properties of 3,6-dichloro-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide?
3,6-dichloro-N-(2-methyl-4-nitrophenyl)pyridine-2-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 3,6-dichloro-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 60651020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).