6-methyl-2,3-dinitrophenol

C7H6N2O5 — CID 14768193

IUPAC6-methyl-2,3-dinitrophenol
SMILESCc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1O
InChIInChI=1S/C7H6N2O5/c1-4-2-3-5(8(11)12)6(7(4)10)9(13)14/h2-3,10H,1H3
InChIKeyZJZCICWBZBAUQT-UHFFFAOYSA-N
MW198.13 g/mol
LogP1.52
Rot. Bonds2

About 6-methyl-2,3-dinitrophenol

6-methyl-2,3-dinitrophenol (PubChem CID 14768193) has the molecular formula C7H6N2O5 and a molecular weight of 198.13 g/mol. Its IUPAC name is 6-methyl-2,3-dinitrophenol.

Molecular Properties

Compound Name6-methyl-2,3-dinitrophenol
PubChem CID14768193
Molecular FormulaC7H6N2O5
Molecular Weight198.13 g/mol
Exact Mass198.03
IUPAC Name6-methyl-2,3-dinitrophenol
SMILESCc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1O
InChIInChI=1S/C7H6N2O5/c1-4-2-3-5(8(11)12)6(7(4)10)9(13)14/h2-3,10H,1H3
InChIKeyZJZCICWBZBAUQT-UHFFFAOYSA-N
XLogP1.52
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 51.52
H-Bond Donors ≤ 51
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-methyl-6-nitrobenzene-1,2-diol
CID 45121162
2-hydroxy-3-methyl-6-nitrobenzoic acid
CID 139330505
2-bromo-3-methyl-6-nitrophenol;ethane
CID 143941007
1,4-dimethyl-2,3-dinitrobenzene
CID 3916406
3-methyl-6-nitrobenzene-1,2-diamine
CID 54544550
2-[(1S)-1-amino-2-fluoroethyl]-6-methyl-3-nitrophenol
CID 131613871
4-methyl-3-nitrophenol
CID 16271
1-methyl-2,3-dinitrobenzene;1,2,3-trinitrobenzene
CID 19080539
2,4-dinitrobenzene-1,3-diol;iron(2+)
CID 88924073
1-methyl-2,3-dinitrobenzene;hydrate
CID 86587264
1,4-dimethyl-2-nitrobenzene
CID 20849377
1-(2-hydroxy-4-methyl-3-nitrophenyl)ethanone
CID 89409027

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3-dinitrophenol?
The IUPAC name of 6-methyl-2,3-dinitrophenol (CID 14768193) is 6-methyl-2,3-dinitrophenol.
What is the SMILES notation for 6-methyl-2,3-dinitrophenol?
The canonical SMILES for 6-methyl-2,3-dinitrophenol is Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1O.
What is the InChIKey of 6-methyl-2,3-dinitrophenol?
The InChIKey is ZJZCICWBZBAUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O5/c1-4-2-3-5(8(11)12)6(7(4)10)9(13)14/h2-3,10H,1H3.
What are the key properties of 6-methyl-2,3-dinitrophenol?
6-methyl-2,3-dinitrophenol has a molecular weight of 198.13 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3-dinitrophenol is sourced from PubChem (CID 14768193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).