4-[(2-nitro-3-pyridinyl)oxymethyl]benzamide

C13H11N3O4 — CID 27351276

IUPAC4-[(2-nitro-3-pyridinyl)oxymethyl]benzamide
SMILESNC(=O)c1ccc(COc2cccnc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H11N3O4/c14-12(17)10-5-3-9(4-6-10)8-20-11-2-1-7-15-13(11)16(18)19/h1-7H,8H2,(H2,14,17)
InChIKeyNZMDXOZDNHPQJY-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.67
Rot. Bonds5

About 4-[(2-nitro-3-pyridinyl)oxymethyl]benzamide

4-[(2-nitro-3-pyridinyl)oxymethyl]benzamide (PubChem CID 27351276) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 4-[(2-nitro-3-pyridinyl)oxymethyl]benzamide.

Molecular Properties

Compound Name4-[(2-nitro-3-pyridinyl)oxymethyl]benzamide
PubChem CID27351276
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name4-[(2-nitro-3-pyridinyl)oxymethyl]benzamide
SMILESNC(=O)c1ccc(COc2cccnc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H11N3O4/c14-12(17)10-5-3-9(4-6-10)8-20-11-2-1-7-15-13(11)16(18)19/h1-7H,8H2,(H2,14,17)
InChIKeyNZMDXOZDNHPQJY-UHFFFAOYSA-N
XLogP1.67
TPSA108.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.67
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

4-[(2-nitro-3-pyridinyl)oxymethyl]-N-phenylbenzamide
CID 40662450
2-nitro-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine
CID 60526552
4-fluoro-3-[(2-nitro-3-pyridinyl)oxymethyl]benzoic acid
CID 107451989
4-[(4-nitrophenyl)methoxy]benzamide
CID 7893395
5-[(2-nitro-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid
CID 63380396
5-[(2-nitro-3-pyridinyl)oxymethyl]furan-3-carbohydrazide
CID 63575736
(2-nitro-3-pyridinyl)oxymethyl 3-methylbutanoate
CID 126825968
N-methyl-4-[(2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine
CID 62464959
4-[[2-(hydroxymethyl)phenoxy]methyl]benzamide
CID 103616898
5-[(2-nitro-3-pyridinyl)oxymethyl]-N-propylpyridin-2-amine
CID 62195013
1-(3,4-difluorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone
CID 18077402
4-[(2-nitro-3-pyridinyl)oxymethyl]pyrimidine-5-carboxylic acid
CID 102973568

Frequently Asked Questions

What is the IUPAC name of 4-[(2-nitro-3-pyridinyl)oxymethyl]benzamide?
The IUPAC name of 4-[(2-nitro-3-pyridinyl)oxymethyl]benzamide (CID 27351276) is 4-[(2-nitro-3-pyridinyl)oxymethyl]benzamide.
What is the SMILES notation for 4-[(2-nitro-3-pyridinyl)oxymethyl]benzamide?
The canonical SMILES for 4-[(2-nitro-3-pyridinyl)oxymethyl]benzamide is NC(=O)c1ccc(COc2cccnc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-[(2-nitro-3-pyridinyl)oxymethyl]benzamide?
The InChIKey is NZMDXOZDNHPQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c14-12(17)10-5-3-9(4-6-10)8-20-11-2-1-7-15-13(11)16(18)19/h1-7H,8H2,(H2,14,17).
What are the key properties of 4-[(2-nitro-3-pyridinyl)oxymethyl]benzamide?
4-[(2-nitro-3-pyridinyl)oxymethyl]benzamide has a molecular weight of 273.25 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-nitro-3-pyridinyl)oxymethyl]benzamide is sourced from PubChem (CID 27351276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).