N-(4-methyl-3,5-dinitrophenyl)hydroxylamine

C7H7N3O5 — CID 5375469

IUPACN-(4-methyl-3,5-dinitrophenyl)hydroxylamine
SMILESCc1c([N+](=O)[O-])cc(NO)cc1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O5/c1-4-6(9(12)13)2-5(8-11)3-7(4)10(14)15/h2-3,8,11H,1H3
InChIKeyHTTDEAQRSCMCQS-UHFFFAOYSA-N
MW213.15 g/mol
LogP1.61
Rot. Bonds3

About N-(4-methyl-3,5-dinitrophenyl)hydroxylamine

N-(4-methyl-3,5-dinitrophenyl)hydroxylamine (PubChem CID 5375469) has the molecular formula C7H7N3O5 and a molecular weight of 213.15 g/mol. Its IUPAC name is N-(4-methyl-3,5-dinitrophenyl)hydroxylamine.

Molecular Properties

Compound NameN-(4-methyl-3,5-dinitrophenyl)hydroxylamine
PubChem CID5375469
Molecular FormulaC7H7N3O5
Molecular Weight213.15 g/mol
Exact Mass213.04
IUPAC NameN-(4-methyl-3,5-dinitrophenyl)hydroxylamine
SMILESCc1c([N+](=O)[O-])cc(NO)cc1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O5/c1-4-6(9(12)13)2-5(8-11)3-7(4)10(14)15/h2-3,8,11H,1H3
InChIKeyHTTDEAQRSCMCQS-UHFFFAOYSA-N
XLogP1.61
TPSA118.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 51.61
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3,5-dinitrophenyl)hydroxylamine?
The IUPAC name of N-(4-methyl-3,5-dinitrophenyl)hydroxylamine (CID 5375469) is N-(4-methyl-3,5-dinitrophenyl)hydroxylamine.
What is the SMILES notation for N-(4-methyl-3,5-dinitrophenyl)hydroxylamine?
The canonical SMILES for N-(4-methyl-3,5-dinitrophenyl)hydroxylamine is Cc1c([N+](=O)[O-])cc(NO)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methyl-3,5-dinitrophenyl)hydroxylamine?
The InChIKey is HTTDEAQRSCMCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O5/c1-4-6(9(12)13)2-5(8-11)3-7(4)10(14)15/h2-3,8,11H,1H3.
What are the key properties of N-(4-methyl-3,5-dinitrophenyl)hydroxylamine?
N-(4-methyl-3,5-dinitrophenyl)hydroxylamine has a molecular weight of 213.15 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3,5-dinitrophenyl)hydroxylamine is sourced from PubChem (CID 5375469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).