N-(2-methyl-3-nitrophenyl)hydroxylamine

C7H8N2O3 — CID 5489549

IUPACN-(2-methyl-3-nitrophenyl)hydroxylamine
SMILESCc1c(NO)cccc1[N+](=O)[O-]
InChIInChI=1S/C7H8N2O3/c1-5-6(8-10)3-2-4-7(5)9(11)12/h2-4,8,10H,1H3
InChIKeyHIXIHBIHMDSOMK-UHFFFAOYSA-N
MW168.15 g/mol
LogP1.70
Rot. Bonds2

About N-(2-methyl-3-nitrophenyl)hydroxylamine

N-(2-methyl-3-nitrophenyl)hydroxylamine (PubChem CID 5489549) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is N-(2-methyl-3-nitrophenyl)hydroxylamine.

Molecular Properties

Compound NameN-(2-methyl-3-nitrophenyl)hydroxylamine
PubChem CID5489549
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC NameN-(2-methyl-3-nitrophenyl)hydroxylamine
SMILESCc1c(NO)cccc1[N+](=O)[O-]
InChIInChI=1S/C7H8N2O3/c1-5-6(8-10)3-2-4-7(5)9(11)12/h2-4,8,10H,1H3
InChIKeyHIXIHBIHMDSOMK-UHFFFAOYSA-N
XLogP1.70
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-3-nitrophenyl)urea
CID 22416531
N-ethyl-2-methyl-3-nitroaniline
CID 43425875
2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 4927442
2-methyl-1-nitro-3-(sulfamoylamino)benzene
CID 112573289
1-(2-methyl-3-nitroanilino)propan-2-ol
CID 63076222
2-(2-methyl-3-nitroanilino)ethene-1,1,2-tricarbonitrile
CID 168600567
N-(3-nitro-2-nitrosophenyl)hydroxylamine
CID 91620917
N-[(2-methyl-3-nitrophenyl)carbamoyl]formamide
CID 174454415
(E)-N-(2-methyl-3-nitrophenyl)but-2-enamide
CID 110459718
N-hydroxy-2-methyl-3-nitrobenzamide
CID 24690706
2-methyl-3-(2-methyl-3-nitroanilino)butan-1-ol
CID 113484873
2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60706284

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-nitrophenyl)hydroxylamine?
The IUPAC name of N-(2-methyl-3-nitrophenyl)hydroxylamine (CID 5489549) is N-(2-methyl-3-nitrophenyl)hydroxylamine.
What is the SMILES notation for N-(2-methyl-3-nitrophenyl)hydroxylamine?
The canonical SMILES for N-(2-methyl-3-nitrophenyl)hydroxylamine is Cc1c(NO)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-3-nitrophenyl)hydroxylamine?
The InChIKey is HIXIHBIHMDSOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-5-6(8-10)3-2-4-7(5)9(11)12/h2-4,8,10H,1H3.
What are the key properties of N-(2-methyl-3-nitrophenyl)hydroxylamine?
N-(2-methyl-3-nitrophenyl)hydroxylamine has a molecular weight of 168.15 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-nitrophenyl)hydroxylamine is sourced from PubChem (CID 5489549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).