O-[(3,5-dinitrophenyl)methyl]hydroxylamine

C7H7N3O5 — CID 5191653

IUPACO-[(3,5-dinitrophenyl)methyl]hydroxylamine
SMILESNOCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C7H7N3O5/c8-15-4-5-1-6(9(11)12)3-7(2-5)10(13)14/h1-3H,4,8H2
InChIKeyXWTZKAKUNNFAHY-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.89
Rot. Bonds4

About O-[(3,5-dinitrophenyl)methyl]hydroxylamine

O-[(3,5-dinitrophenyl)methyl]hydroxylamine (PubChem CID 5191653) has the molecular formula C7H7N3O5 and a molecular weight of 213.15 g/mol. Its IUPAC name is O-[(3,5-dinitrophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3,5-dinitrophenyl)methyl]hydroxylamine
PubChem CID5191653
Molecular FormulaC7H7N3O5
Molecular Weight213.15 g/mol
Exact Mass213.04
IUPAC NameO-[(3,5-dinitrophenyl)methyl]hydroxylamine
SMILESNOCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C7H7N3O5/c8-15-4-5-1-6(9(11)12)3-7(2-5)10(13)14/h1-3H,4,8H2
InChIKeyXWTZKAKUNNFAHY-UHFFFAOYSA-N
XLogP0.89
TPSA121.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

[3-(hydroxymethyl)-5-nitrophenyl]methanol
CID 603032
1-(iodomethyl)-3,5-dinitrobenzene
CID 22609073
(3,5-dinitrophenyl)methyl 4-aminobutanoate
CID 166671159
O-[(3-fluoro-2-methoxy-5-nitrophenyl)methyl]hydroxylamine
CID 117307657
[3-(aminomethyl)-5-nitrophenyl]methanol
CID 143211941
O-[2-(3-nitrophenyl)ethyl]hydroxylamine
CID 67062828
1-nitro-3,5-bis(nitromethyl)benzene
CID 20531408
bis(propan-1-amine);1,3,5-trinitrobenzene
CID 71444758
(3,5-dinitrophenyl)methyl pyridine-3-carboxylate
CID 88940674
[2-[(3,5-dinitrophenyl)methoxy]-2-oxoethyl] 2-methylbutanoate
CID 170685917
methyl 3-(hydroxymethyl)-5-nitrobenzoate
CID 10703703
lithium (3,5-dinitrophenyl)azanide
CID 139243768

Frequently Asked Questions

What is the IUPAC name of O-[(3,5-dinitrophenyl)methyl]hydroxylamine?
The IUPAC name of O-[(3,5-dinitrophenyl)methyl]hydroxylamine (CID 5191653) is O-[(3,5-dinitrophenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3,5-dinitrophenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(3,5-dinitrophenyl)methyl]hydroxylamine is NOCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.
What is the InChIKey of O-[(3,5-dinitrophenyl)methyl]hydroxylamine?
The InChIKey is XWTZKAKUNNFAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O5/c8-15-4-5-1-6(9(11)12)3-7(2-5)10(13)14/h1-3H,4,8H2.
What are the key properties of O-[(3,5-dinitrophenyl)methyl]hydroxylamine?
O-[(3,5-dinitrophenyl)methyl]hydroxylamine has a molecular weight of 213.15 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3,5-dinitrophenyl)methyl]hydroxylamine is sourced from PubChem (CID 5191653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).