2-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide

C13H10ClN3O4 — CID 26515816

IUPAC2-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1
InChIInChI=1S/C13H10ClN3O4/c1-21-12-5-2-8(7-15-12)16-13(18)10-4-3-9(17(19)20)6-11(10)14/h2-7H,1H3,(H,16,18)
InChIKeyAFPPQCVXWKKWAW-UHFFFAOYSA-N
MW307.69 g/mol
LogP2.90
Rot. Bonds4

About 2-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide

2-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide (PubChem CID 26515816) has the molecular formula C13H10ClN3O4 and a molecular weight of 307.69 g/mol. Its IUPAC name is 2-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide
PubChem CID26515816
Molecular FormulaC13H10ClN3O4
Molecular Weight307.69 g/mol
Exact Mass307.04
IUPAC Name2-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1
InChIInChI=1S/C13H10ClN3O4/c1-21-12-5-2-8(7-15-12)16-13(18)10-4-3-9(17(19)20)6-11(10)14/h2-7H,1H3,(H,16,18)
InChIKeyAFPPQCVXWKKWAW-UHFFFAOYSA-N
XLogP2.90
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-N-[(6-methoxy-3-pyridinyl)methyl]-4-nitrobenzamide
CID 51316838
2-chloro-N-[2-(dimethylamino)pyrimidin-5-yl]-4-nitrobenzamide
CID 122298152
3-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide
CID 82776170
N-(6-bromo-3-pyridinyl)-2-methoxy-4-nitrobenzamide
CID 106509645
2-chloro-4-nitro-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 51319265
N-(4-acetylphenyl)-2-chloro-4-nitrobenzamide
CID 773732
2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide
CID 114917038
2-chloro-N-[4-[[4-[(2-chloro-4-nitrobenzoyl)amino]phenyl]methyl]phenyl]-4-nitrobenzamide
CID 5192048
2-chloro-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-nitrobenzamide
CID 100803493
2-chloro-N-(6-fluoro-3-pyridinyl)-5-nitrobenzamide
CID 103793429
ethyl 2-chloro-4-[(2-chloro-4-nitrobenzoyl)amino]benzoate
CID 92671761
2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-nitrobenzamide
CID 103746259

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide (CID 26515816) is 2-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide is COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1.
What is the InChIKey of 2-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide?
The InChIKey is AFPPQCVXWKKWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O4/c1-21-12-5-2-8(7-15-12)16-13(18)10-4-3-9(17(19)20)6-11(10)14/h2-7H,1H3,(H,16,18).
What are the key properties of 2-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide?
2-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide has a molecular weight of 307.69 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide is sourced from PubChem (CID 26515816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).