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

C13H10ClN3O3 — CID 81227319

IUPAC4-chloro-N-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnccc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10ClN3O3/c1-8-2-3-11(12(6-8)17(19)20)16-13(18)9-7-15-5-4-10(9)14/h2-7H,1H3,(H,16,18)
InChIKeyPAWRLIYGSZULSE-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.20
Rot. Bonds3

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

4-chloro-N-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide (PubChem CID 81227319) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 4-chloro-N-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide
PubChem CID81227319
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name4-chloro-N-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnccc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10ClN3O3/c1-8-2-3-11(12(6-8)17(19)20)16-13(18)9-7-15-5-4-10(9)14/h2-7H,1H3,(H,16,18)
InChIKeyPAWRLIYGSZULSE-UHFFFAOYSA-N
XLogP3.20
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-(4-methyl-2-nitrophenyl)pyridine-4-carboxamide
CID 105066539
5-bromo-2-chloro-N-(4-methyl-2-nitrophenyl)benzamide
CID 2886785
N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide
CID 134120931
N-(4-chloro-2-nitrophenyl)-3-fluoropyridine-4-carboxamide
CID 105066534
N-(2-bromo-4-nitrophenyl)-4-chloropyridine-3-carboxamide
CID 81226714
4-chloro-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide
CID 19263590
3-chloro-N-(3-methyl-4-nitrophenyl)pyridine-4-carboxamide
CID 66484722
3-hydroxy-N-(4-methyl-2-nitrophenyl)naphthalene-2-carboxamide
CID 598391
N-(4-methyl-2-nitrophenyl)-1H-imidazole-2-carboxamide
CID 110466542
2-chloro-N-(2-chloro-4-methylphenyl)-3-nitrobenzamide
CID 115930887
N-(4-methyl-2-nitrophenyl)-2-methylsulfanylbenzamide
CID 8795558
3-amino-N-(2-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 105068439

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide (CID 81227319) is 4-chloro-N-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cnccc2Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-N-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide?
The InChIKey is PAWRLIYGSZULSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c1-8-2-3-11(12(6-8)17(19)20)16-13(18)9-7-15-5-4-10(9)14/h2-7H,1H3,(H,16,18).
What are the key properties of 4-chloro-N-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide?
4-chloro-N-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide has a molecular weight of 291.69 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 81227319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).