2-chloro-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide

C13H10ClN3O3 — CID 4234801

IUPAC2-chloro-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide
SMILESCc1ccnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1
InChIInChI=1S/C13H10ClN3O3/c1-8-4-5-15-12(6-8)16-13(18)10-3-2-9(17(19)20)7-11(10)14/h2-7H,1H3,(H,15,16,18)
InChIKeyZPXQNFOOIYUOSR-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.20
Rot. Bonds3

About 2-chloro-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide

2-chloro-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide (PubChem CID 4234801) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 2-chloro-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide
PubChem CID4234801
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name2-chloro-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide
SMILESCc1ccnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1
InChIInChI=1S/C13H10ClN3O3/c1-8-4-5-15-12(6-8)16-13(18)10-3-2-9(17(19)20)7-11(10)14/h2-7H,1H3,(H,15,16,18)
InChIKeyZPXQNFOOIYUOSR-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'}

Analyze 2-chloro-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-4-nitrophenyl)-N-(4-methyl-2-pyridinyl)acetamide
CID 172639803
2-chloro-N-(4-methyl-2-pyridinyl)-3,5-dinitrobenzamide
CID 4629189
N-(5-bromo-4-methyl-2-pyridinyl)-2-chloro-4-nitrobenzamide
CID 79735970
N-(4-chloro-2-pyridinyl)-2-methyl-5-nitrobenzamide
CID 115627296
2-chloro-N-(3-methyl-2-pyridinyl)-4-nitrobenzamide
CID 3273580
2-chloro-4-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47935004
2-chloro-N-(3-fluoro-5-methylphenyl)-4-nitrobenzamide
CID 79044512
2-chloro-N-(1H-imidazol-2-yl)-4-nitrobenzamide
CID 60764792
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-methylbenzamide
CID 106509889
2,4-dichloro-N-[2-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
CID 1339954
2-chloro-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 60645859
2-chloro-N-[2-(dimethylamino)pyrimidin-5-yl]-4-nitrobenzamide
CID 122298152

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide (CID 4234801) is 2-chloro-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide is Cc1ccnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1.
What is the InChIKey of 2-chloro-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide?
The InChIKey is ZPXQNFOOIYUOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c1-8-4-5-15-12(6-8)16-13(18)10-3-2-9(17(19)20)7-11(10)14/h2-7H,1H3,(H,15,16,18).
What are the key properties of 2-chloro-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide?
2-chloro-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide 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 2-chloro-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide is sourced from PubChem (CID 4234801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).