2-amino-3-methyl-4-nitrophenol

C7H8N2O3 — CID 86240740

IUPAC2-amino-3-methyl-4-nitrophenol
SMILESCc1c([N+](=O)[O-])ccc(O)c1N
InChIInChI=1S/C7H8N2O3/c1-4-5(9(11)12)2-3-6(10)7(4)8/h2-3,10H,8H2,1H3
InChIKeyPZJCPJNSLGQGPX-UHFFFAOYSA-N
MW168.15 g/mol
LogP1.19
Rot. Bonds1

About 2-amino-3-methyl-4-nitrophenol

2-amino-3-methyl-4-nitrophenol (PubChem CID 86240740) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-amino-3-methyl-4-nitrophenol.

Molecular Properties

Compound Name2-amino-3-methyl-4-nitrophenol
PubChem CID86240740
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2-amino-3-methyl-4-nitrophenol
SMILESCc1c([N+](=O)[O-])ccc(O)c1N
InChIInChI=1S/C7H8N2O3/c1-4-5(9(11)12)2-3-6(10)7(4)8/h2-3,10H,8H2,1H3
InChIKeyPZJCPJNSLGQGPX-UHFFFAOYSA-N
XLogP1.19
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-3-methyl-4-nitrophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-nitrobenzene-1,3-diol;hydrochloride
CID 174916227
2-amino-3-hydroxy-6-nitrobenzoic acid
CID 138958646
2-amino-3-hydroxy-6-nitrobenzonitrile
CID 171018562
methyl 2-amino-3-methyl-4-nitrobenzoate
CID 131397015
methyl 2-(2-amino-3-methyl-4-nitrophenyl)acetate
CID 171030711
3-methyl-6-nitrobenzene-1,2-diamine
CID 54544550
1-(2-amino-3-hydroxy-6-nitrophenyl)-2-bromoethanone
CID 171022950
2-amino-5-methyl-4-nitrophenol
CID 12781867
6-bromo-2-methyl-3-nitrophenol
CID 130927076
2,6-dimethyl-3-nitrobenzamide
CID 118992531
6-methoxy-2-methyl-3-nitrophenol
CID 10058181
4-amino-2-methyl-5-nitroquinolin-8-ol
CID 69366706

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-4-nitrophenol?
The IUPAC name of 2-amino-3-methyl-4-nitrophenol (CID 86240740) is 2-amino-3-methyl-4-nitrophenol.
What is the SMILES notation for 2-amino-3-methyl-4-nitrophenol?
The canonical SMILES for 2-amino-3-methyl-4-nitrophenol is Cc1c([N+](=O)[O-])ccc(O)c1N.
What is the InChIKey of 2-amino-3-methyl-4-nitrophenol?
The InChIKey is PZJCPJNSLGQGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-4-5(9(11)12)2-3-6(10)7(4)8/h2-3,10H,8H2,1H3.
What are the key properties of 2-amino-3-methyl-4-nitrophenol?
2-amino-3-methyl-4-nitrophenol has a molecular weight of 168.15 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-4-nitrophenol is sourced from PubChem (CID 86240740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).