2-methyl-4,6-dinitrophenol;phenylhydrazine

C13H14N4O5 — CID 87772567

IUPAC2-methyl-4,6-dinitrophenol;phenylhydrazine
SMILESCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O.NNc1ccccc1
InChIInChI=1S/C7H6N2O5.C6H8N2/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14;7-8-6-4-2-1-3-5-6/h2-3,10H,1H3;1-5,8H,7H2
InChIKeyAEBJMWAJTNOAEO-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.49
Rot. Bonds3

About 2-methyl-4,6-dinitrophenol;phenylhydrazine

2-methyl-4,6-dinitrophenol;phenylhydrazine (PubChem CID 87772567) has the molecular formula C13H14N4O5 and a molecular weight of 306.28 g/mol. Its IUPAC name is 2-methyl-4,6-dinitrophenol;phenylhydrazine.

Molecular Properties

Compound Name2-methyl-4,6-dinitrophenol;phenylhydrazine
PubChem CID87772567
Molecular FormulaC13H14N4O5
Molecular Weight306.28 g/mol
Exact Mass306.10
IUPAC Name2-methyl-4,6-dinitrophenol;phenylhydrazine
SMILESCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O.NNc1ccccc1
InChIInChI=1S/C7H6N2O5.C6H8N2/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14;7-8-6-4-2-1-3-5-6/h2-3,10H,1H3;1-5,8H,7H2
InChIKeyAEBJMWAJTNOAEO-UHFFFAOYSA-N
XLogP2.49
TPSA144.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-methyl-4,6-dinitrophenol;phenylhydrazine 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

sodium;hydride;2-methyl-4,6-dinitrophenol
CID 173366474
2-methyl-4,6-dinitrophenol;2-methyl-1,3,5-trinitrobenzene
CID 87639053
ethane-1,2-diol;2-methyl-4,6-dinitrophenol
CID 87637947
cyclopentane;2-methyl-4,6-dinitrophenol;phenyl carbamodithioate
CID 88757319
N-ethylaniline;2,4,6-trinitrophenol
CID 121004377
2,6-dimethyl-4-nitrophenol;ethane;methane
CID 143297334
thorium;2,4,6-trinitrophenol
CID 88723018
cobalt;2,4,6-trinitrophenol
CID 88826081
titanium;tetrakis(2,4,6-trinitrophenol)
CID 175054734
manganese;bis(2,4,6-trinitrophenol)
CID 131879151
CID 87277719
CID 87277719
titanium;2,4,6-trinitrophenol
CID 175328132

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,6-dinitrophenol;phenylhydrazine?
The IUPAC name of 2-methyl-4,6-dinitrophenol;phenylhydrazine (CID 87772567) is 2-methyl-4,6-dinitrophenol;phenylhydrazine.
What is the SMILES notation for 2-methyl-4,6-dinitrophenol;phenylhydrazine?
The canonical SMILES for 2-methyl-4,6-dinitrophenol;phenylhydrazine is Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O.NNc1ccccc1.
What is the InChIKey of 2-methyl-4,6-dinitrophenol;phenylhydrazine?
The InChIKey is AEBJMWAJTNOAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O5.C6H8N2/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14;7-8-6-4-2-1-3-5-6/h2-3,10H,1H3;1-5,8H,7H2.
What are the key properties of 2-methyl-4,6-dinitrophenol;phenylhydrazine?
2-methyl-4,6-dinitrophenol;phenylhydrazine has a molecular weight of 306.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6-dinitrophenol;phenylhydrazine is sourced from PubChem (CID 87772567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).