4-methoxy-2-nitro-5-pyridin-2-ylbenzamide

C13H11N3O4 — CID 18768465

IUPAC4-methoxy-2-nitro-5-pyridin-2-ylbenzamide
SMILESCOc1cc([N+](=O)[O-])c(C(N)=O)cc1-c1ccccn1
InChIInChI=1S/C13H11N3O4/c1-20-12-7-11(16(18)19)9(13(14)17)6-8(12)10-4-2-3-5-15-10/h2-7H,1H3,(H2,14,17)
InChIKeyIHJBSWZNGMXQKC-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.76
Rot. Bonds4

About 4-methoxy-2-nitro-5-pyridin-2-ylbenzamide

4-methoxy-2-nitro-5-pyridin-2-ylbenzamide (PubChem CID 18768465) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 4-methoxy-2-nitro-5-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-methoxy-2-nitro-5-pyridin-2-ylbenzamide
PubChem CID18768465
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name4-methoxy-2-nitro-5-pyridin-2-ylbenzamide
SMILESCOc1cc([N+](=O)[O-])c(C(N)=O)cc1-c1ccccn1
InChIInChI=1S/C13H11N3O4/c1-20-12-7-11(16(18)19)9(13(14)17)6-8(12)10-4-2-3-5-15-10/h2-7H,1H3,(H2,14,17)
InChIKeyIHJBSWZNGMXQKC-UHFFFAOYSA-N
XLogP1.76
TPSA108.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.76
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

pyridin-2-ylmethyl 5-ethoxy-4-methoxy-2-nitrobenzoate
CID 38123406
2-amino-4-methoxy-5-nitrobenzamide
CID 131344074
3-nitro-5-pyridin-2-ylpyridin-2-amine
CID 20556183
2-amino-5-nitropyridine-4-carboxamide
CID 19034952
4-methoxy-3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 8924132
7-methoxy-4-(4-nitronaphthalen-1-yl)oxyquinoline-6-carboxamide
CID 169101863
2-nitro-5-pyridin-2-ylaniline
CID 89158283
2-(5-ethoxy-4-ethyl-2-methoxyphenyl)pyridine
CID 175907027
methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate
CID 22667033
5-ethoxy-4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzamide
CID 24540627
1,3-benzothiazol-2-ylmethyl 4,5-dimethoxy-2-nitrobenzoate
CID 2705231
3-nitro-4-pyridin-2-ylpyridin-2-amine
CID 118914696

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-nitro-5-pyridin-2-ylbenzamide?
The IUPAC name of 4-methoxy-2-nitro-5-pyridin-2-ylbenzamide (CID 18768465) is 4-methoxy-2-nitro-5-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-methoxy-2-nitro-5-pyridin-2-ylbenzamide?
The canonical SMILES for 4-methoxy-2-nitro-5-pyridin-2-ylbenzamide is COc1cc([N+](=O)[O-])c(C(N)=O)cc1-c1ccccn1.
What is the InChIKey of 4-methoxy-2-nitro-5-pyridin-2-ylbenzamide?
The InChIKey is IHJBSWZNGMXQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-20-12-7-11(16(18)19)9(13(14)17)6-8(12)10-4-2-3-5-15-10/h2-7H,1H3,(H2,14,17).
What are the key properties of 4-methoxy-2-nitro-5-pyridin-2-ylbenzamide?
4-methoxy-2-nitro-5-pyridin-2-ylbenzamide has a molecular weight of 273.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-nitro-5-pyridin-2-ylbenzamide is sourced from PubChem (CID 18768465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).