4-chloro-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide

C13H10ClN3O3 — CID 773698

IUPAC4-chloro-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide
SMILESCc1ccnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C13H10ClN3O3/c1-8-4-5-15-12(6-8)16-13(18)9-2-3-10(14)11(7-9)17(19)20/h2-7H,1H3,(H,15,16,18)
InChIKeyLFYXALLUODLTQG-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.20
Rot. Bonds3

About 4-chloro-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide

4-chloro-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide (PubChem CID 773698) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 4-chloro-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide
PubChem CID773698
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name4-chloro-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide
SMILESCc1ccnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C13H10ClN3O3/c1-8-4-5-15-12(6-8)16-13(18)9-2-3-10(14)11(7-9)17(19)20/h2-7H,1H3,(H,15,16,18)
InChIKeyLFYXALLUODLTQG-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

2-Chloro-5-nitro-N-4-pyridinylbenzamide
CID 2777391
2-(4-chlorophenyl)-N-(pyridin-2-yl)acetamide
CID 670085
(2-Chloro-5-nitrophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 881100
N-(4,6-Dimethyl-2-pyridinyl)-3-nitrobenzamide
CID 896056
Benzamide, N-(5-chloro-2-pyridinyl)-2-fluoro-
CID 36851
Benzamide, 4-nitro-N-2-pyridinyl-
CID 101345
2-chloro-4,5-difluoro-N-(5-methylpyridin-2-yl)benzamide
CID 878799
2-(4-chlorophenyl)-N-(4-chloropyridin-2-yl)acetamide
CID 898875
2-(4-chlorophenyl)-N-(5-methylpyridin-2-yl)acetamide
CID 903280
3-nitro-N-(pyridin-2-ylcarbamothioyl)benzamide
CID 915890
4-chloro-N-(4,6-dimethylpyrimidin-2-yl)-3-nitrobenzamide
CID 924672
4-chloro-3-[(2-methylbenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
CID 1020098

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide?
The IUPAC name of 4-chloro-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide (CID 773698) is 4-chloro-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide?
The canonical SMILES for 4-chloro-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide is Cc1ccnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1.
What is the InChIKey of 4-chloro-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide?
The InChIKey is LFYXALLUODLTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c1-8-4-5-15-12(6-8)16-13(18)9-2-3-10(14)11(7-9)17(19)20/h2-7H,1H3,(H,15,16,18).
What are the key properties of 4-chloro-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide?
4-chloro-N-(4-methyl-2-pyridinyl)-3-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 4-chloro-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide is sourced from PubChem (CID 773698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).