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

C13H11N3O4 — CID 143786292

IUPAC4-(6-methoxy-3-pyridinyl)-2-nitrobenzamide
SMILESCOc1ccc(-c2ccc(C(N)=O)c([N+](=O)[O-])c2)cn1
InChIInChI=1S/C13H11N3O4/c1-20-12-5-3-9(7-15-12)8-2-4-10(13(14)17)11(6-8)16(18)19/h2-7H,1H3,(H2,14,17)
InChIKeyHMGBWFZXNKKLOE-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.76
Rot. Bonds4

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

4-(6-methoxy-3-pyridinyl)-2-nitrobenzamide (PubChem CID 143786292) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 4-(6-methoxy-3-pyridinyl)-2-nitrobenzamide.

Molecular Properties

Compound Name4-(6-methoxy-3-pyridinyl)-2-nitrobenzamide
PubChem CID143786292
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name4-(6-methoxy-3-pyridinyl)-2-nitrobenzamide
SMILESCOc1ccc(-c2ccc(C(N)=O)c([N+](=O)[O-])c2)cn1
InChIInChI=1S/C13H11N3O4/c1-20-12-5-3-9(7-15-12)8-2-4-10(13(14)17)11(6-8)16(18)19/h2-7H,1H3,(H2,14,17)
InChIKeyHMGBWFZXNKKLOE-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

2-amino-4-(6-methoxy-3-pyridinyl)benzamide
CID 143786291
5-(6-methoxy-3-pyridinyl)-3-nitropyridin-2-amine
CID 11357014
methyl 4-(6-methoxy-3-pyridinyl)-2-methylbenzoate
CID 18617593
2-methoxy-5-nitropyridine-4-carboxylic acid
CID 105451249
4-(4-carboxy-3-nitrophenyl)-2-nitrobenzoic acid
CID 18966829
4-methylsulfonyl-2-nitrobenzamide
CID 66667626
N-(6-methoxy-3-pyridinyl)-N,2-dimethyl-3,5-dinitrobenzamide
CID 60609870
2-nitro-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 22030050
4-(3-chloro-4-methoxyphenyl)-2-nitrobenzoic acid
CID 53227527
2-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide
CID 26515816
1-(2-nitro-4-pyridin-4-ylphenyl)ethanone
CID 15091336
3-methoxy-6-(6-methoxy-3-pyridinyl)pyridazine
CID 24851547

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-3-pyridinyl)-2-nitrobenzamide?
The IUPAC name of 4-(6-methoxy-3-pyridinyl)-2-nitrobenzamide (CID 143786292) is 4-(6-methoxy-3-pyridinyl)-2-nitrobenzamide.
What is the SMILES notation for 4-(6-methoxy-3-pyridinyl)-2-nitrobenzamide?
The canonical SMILES for 4-(6-methoxy-3-pyridinyl)-2-nitrobenzamide is COc1ccc(-c2ccc(C(N)=O)c([N+](=O)[O-])c2)cn1.
What is the InChIKey of 4-(6-methoxy-3-pyridinyl)-2-nitrobenzamide?
The InChIKey is HMGBWFZXNKKLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-20-12-5-3-9(7-15-12)8-2-4-10(13(14)17)11(6-8)16(18)19/h2-7H,1H3,(H2,14,17).
What are the key properties of 4-(6-methoxy-3-pyridinyl)-2-nitrobenzamide?
4-(6-methoxy-3-pyridinyl)-2-nitrobenzamide 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-(6-methoxy-3-pyridinyl)-2-nitrobenzamide is sourced from PubChem (CID 143786292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).