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

C13H10ClN3O4 — CID 82776170

IUPAC3-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cn1
InChIInChI=1S/C13H10ClN3O4/c1-21-12-5-3-9(7-15-12)16-13(18)8-2-4-11(17(19)20)10(14)6-8/h2-7H,1H3,(H,16,18)
InChIKeyWZXCODSOXHKKAU-UHFFFAOYSA-N
MW307.69 g/mol
LogP2.90
Rot. Bonds4

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

3-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide (PubChem CID 82776170) has the molecular formula C13H10ClN3O4 and a molecular weight of 307.69 g/mol. Its IUPAC name is 3-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide.

Molecular Properties

Compound Name3-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide
PubChem CID82776170
Molecular FormulaC13H10ClN3O4
Molecular Weight307.69 g/mol
Exact Mass307.04
IUPAC Name3-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cn1
InChIInChI=1S/C13H10ClN3O4/c1-21-12-5-3-9(7-15-12)16-13(18)8-2-4-11(17(19)20)10(14)6-8/h2-7H,1H3,(H,16,18)
InChIKeyWZXCODSOXHKKAU-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)-4-nitrobenzamide
CID 26515816
2-N,5-N-bis(3-chloro-4-nitrophenyl)pyridine-2,5-dicarboxamide
CID 4294395
4-methoxy-3-nitro-N-(6-phenylmethoxy-3-pyridinyl)benzamide
CID 55879438
2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-nitrobenzamide
CID 103746259
N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide
CID 107619731
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
N-(3-chloro-4-nitrophenyl)-6-fluoropyridine-3-carboxamide
CID 78962697
N-(3-chloro-4-cyanophenyl)-6-methoxypyridine-3-carboxamide
CID 134015998
3-chloro-N-(1-ethylpyrazol-4-yl)-4-nitrobenzamide
CID 82781184
3-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-nitrobenzamide
CID 103947347
3-chloro-4-nitro-N-pyrazin-2-ylbenzamide
CID 82781781
4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide
CID 47421902

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide?
The IUPAC name of 3-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide (CID 82776170) is 3-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide.
What is the SMILES notation for 3-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide?
The canonical SMILES for 3-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide is COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cn1.
What is the InChIKey of 3-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide?
The InChIKey is WZXCODSOXHKKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O4/c1-21-12-5-3-9(7-15-12)16-13(18)8-2-4-11(17(19)20)10(14)6-8/h2-7H,1H3,(H,16,18).
What are the key properties of 3-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide?
3-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 3-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide is sourced from PubChem (CID 82776170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).