N,N-dihydroxy-2-methyl-5-nitroaniline

C7H8N2O4 — CID 87329382

IUPACN,N-dihydroxy-2-methyl-5-nitroaniline
SMILESCc1ccc([N+](=O)[O-])cc1N(O)O
InChIInChI=1S/C7H8N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4,12-13H,1H3
InChIKeyNKBBQZXIYSBERG-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.49
Rot. Bonds2

About N,N-dihydroxy-2-methyl-5-nitroaniline

N,N-dihydroxy-2-methyl-5-nitroaniline (PubChem CID 87329382) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is N,N-dihydroxy-2-methyl-5-nitroaniline.

Molecular Properties

Compound NameN,N-dihydroxy-2-methyl-5-nitroaniline
PubChem CID87329382
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC NameN,N-dihydroxy-2-methyl-5-nitroaniline
SMILESCc1ccc([N+](=O)[O-])cc1N(O)O
InChIInChI=1S/C7H8N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4,12-13H,1H3
InChIKeyNKBBQZXIYSBERG-UHFFFAOYSA-N
XLogP1.49
TPSA86.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 51.49
H-Bond Donors ≤ 52
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

3-[N-(2-carboxyethyl)-2-methyl-5-nitroanilino]propanoic acid
CID 82319419
2-[N-[2-(dimethylamino)ethyl]-2-methyl-5-nitroanilino]acetic acid
CID 107424872
1,2-dimethyl-4-nitrobenzene;ethane
CID 90784792
1-methyl-2-[2-(2-methyl-5-nitrophenyl)ethyl]-4-nitrobenzene
CID 22217045
2-(N-butyl-2-methyl-5-nitroanilino)ethanol
CID 55091699
N-ethyl-N-(2-methyl-5-nitrophenyl)-4-nitrobenzenesulfonamide
CID 100528608
3-[2-methyl-N-(2-methylpropyl)-5-nitroanilino]propanoic acid
CID 82319265
2-methyl-4-nitrophenol;molecular nitrogen
CID 166479227
sodium 2-methyl-5-nitrobenzenesulfonic acid
CID 23718308
N-methyl-N-(2-methyl-5-nitrophenyl)pyrrolidin-3-amine
CID 63301746
3-(N-(2-methoxyacetyl)-2-methyl-5-nitroanilino)propanoic acid
CID 82321768
2-(2-methyl-5-nitrophenyl)guanidine
CID 11528992

Frequently Asked Questions

What is the IUPAC name of N,N-dihydroxy-2-methyl-5-nitroaniline?
The IUPAC name of N,N-dihydroxy-2-methyl-5-nitroaniline (CID 87329382) is N,N-dihydroxy-2-methyl-5-nitroaniline.
What is the SMILES notation for N,N-dihydroxy-2-methyl-5-nitroaniline?
The canonical SMILES for N,N-dihydroxy-2-methyl-5-nitroaniline is Cc1ccc([N+](=O)[O-])cc1N(O)O.
What is the InChIKey of N,N-dihydroxy-2-methyl-5-nitroaniline?
The InChIKey is NKBBQZXIYSBERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4,12-13H,1H3.
What are the key properties of N,N-dihydroxy-2-methyl-5-nitroaniline?
N,N-dihydroxy-2-methyl-5-nitroaniline has a molecular weight of 184.15 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihydroxy-2-methyl-5-nitroaniline is sourced from PubChem (CID 87329382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).