6-bromo-2-methyl-3-nitrophenol

C7H6BrNO3 — CID 130927076

IUPAC6-bromo-2-methyl-3-nitrophenol
SMILESCc1c([N+](=O)[O-])ccc(Br)c1O
InChIInChI=1S/C7H6BrNO3/c1-4-6(9(11)12)3-2-5(8)7(4)10/h2-3,10H,1H3
InChIKeyQRVBWZYLEPYWPO-UHFFFAOYSA-N
MW232.03 g/mol
LogP2.37
Rot. Bonds1

About 6-bromo-2-methyl-3-nitrophenol

6-bromo-2-methyl-3-nitrophenol (PubChem CID 130927076) has the molecular formula C7H6BrNO3 and a molecular weight of 232.03 g/mol. Its IUPAC name is 6-bromo-2-methyl-3-nitrophenol.

Molecular Properties

Compound Name6-bromo-2-methyl-3-nitrophenol
PubChem CID130927076
Molecular FormulaC7H6BrNO3
Molecular Weight232.03 g/mol
Exact Mass230.95
IUPAC Name6-bromo-2-methyl-3-nitrophenol
SMILESCc1c([N+](=O)[O-])ccc(Br)c1O
InChIInChI=1S/C7H6BrNO3/c1-4-6(9(11)12)3-2-5(8)7(4)10/h2-3,10H,1H3
InChIKeyQRVBWZYLEPYWPO-UHFFFAOYSA-N
XLogP2.37
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.03
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

6-methoxy-2-methyl-3-nitrophenol
CID 10058181
methyl 6-bromo-2-methyl-3-nitrobenzoate
CID 58919616
2-bromo-3-methyl-6-nitrophenol;ethane
CID 143941007
2,6-dibromo-3-methyl-4-nitrophenol
CID 2769633
2-methyl-4-nitrobenzene-1,3-diol;hydrochloride
CID 174916227
3-methyl-6-nitrobenzene-1,2-diol
CID 45121162
2-amino-3-methyl-4-nitrophenol
CID 86240740
2-bromo-4-nitrobenzene-1,3-diol
CID 86810433
6-methyl-2,3-dinitrophenol
CID 14768193
(4-bromo-3-nitrophenyl)-trimethylarsanium;nitric acid
CID 54605361
5-bromo-4-methyl-2-nitrophenol
CID 82184524
3-bromo-1-iodo-2-methyl-4-nitrobenzene
CID 70549188

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-3-nitrophenol?
The IUPAC name of 6-bromo-2-methyl-3-nitrophenol (CID 130927076) is 6-bromo-2-methyl-3-nitrophenol.
What is the SMILES notation for 6-bromo-2-methyl-3-nitrophenol?
The canonical SMILES for 6-bromo-2-methyl-3-nitrophenol is Cc1c([N+](=O)[O-])ccc(Br)c1O.
What is the InChIKey of 6-bromo-2-methyl-3-nitrophenol?
The InChIKey is QRVBWZYLEPYWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO3/c1-4-6(9(11)12)3-2-5(8)7(4)10/h2-3,10H,1H3.
What are the key properties of 6-bromo-2-methyl-3-nitrophenol?
6-bromo-2-methyl-3-nitrophenol has a molecular weight of 232.03 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-3-nitrophenol is sourced from PubChem (CID 130927076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).