2,6-dibromo-3-methyl-4-nitrophenol

C7H5Br2NO3 — CID 2769633

IUPAC2,6-dibromo-3-methyl-4-nitrophenol
SMILESCc1c([N+](=O)[O-])cc(Br)c(O)c1Br
InChIInChI=1S/C7H5Br2NO3/c1-3-5(10(12)13)2-4(8)7(11)6(3)9/h2,11H,1H3
InChIKeyIPHPHFJJKHXWHH-UHFFFAOYSA-N
MW310.93 g/mol
LogP3.13
Rot. Bonds1

About 2,6-dibromo-3-methyl-4-nitrophenol

2,6-dibromo-3-methyl-4-nitrophenol (PubChem CID 2769633) has the molecular formula C7H5Br2NO3 and a molecular weight of 310.93 g/mol. Its IUPAC name is 2,6-dibromo-3-methyl-4-nitrophenol.

Molecular Properties

Compound Name2,6-dibromo-3-methyl-4-nitrophenol
PubChem CID2769633
Molecular FormulaC7H5Br2NO3
Molecular Weight310.93 g/mol
Exact Mass308.86
IUPAC Name2,6-dibromo-3-methyl-4-nitrophenol
SMILESCc1c([N+](=O)[O-])cc(Br)c(O)c1Br
InChIInChI=1S/C7H5Br2NO3/c1-3-5(10(12)13)2-4(8)7(11)6(3)9/h2,11H,1H3
InChIKeyIPHPHFJJKHXWHH-UHFFFAOYSA-N
XLogP3.13
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.93
LogP ≤ 53.13
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-bromo-2,3-dimethyl-4-nitroaniline
CID 71650966
6-bromo-2-methyl-3-nitrophenol
CID 130927076
1-(2,4-dibromo-3-hydroxy-6-nitrophenyl)ethanesulfonic acid
CID 19767388
2-bromo-4,6-dinitrobenzene-1,3-diol
CID 18958398
2-[(3-bromo-2-hydroxy-4-methyl-5-nitrophenyl)methylideneamino]guanidine
CID 168590516
5-bromo-4-methyl-2-nitrophenol
CID 82184524
4-chloro-2,3-dimethyl-6-nitrophenol
CID 23238949
5-(3-bromo-2-hydroxy-4-methyl-5-nitrophenyl)-2H-triazole-4-carboxamide
CID 169402914
2,4-dibromo-3-methoxy-6-nitrophenol;5-methoxy-2-nitrophenol
CID 159971508
3-bromo-4-methyl-5-nitrobenzenesulfonic acid
CID 141287889
2-bromo-3-methyl-6-nitrophenol;ethane
CID 143941007
1-bromo-2,4,5-trinitrobenzene
CID 13333986

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-3-methyl-4-nitrophenol?
The IUPAC name of 2,6-dibromo-3-methyl-4-nitrophenol (CID 2769633) is 2,6-dibromo-3-methyl-4-nitrophenol.
What is the SMILES notation for 2,6-dibromo-3-methyl-4-nitrophenol?
The canonical SMILES for 2,6-dibromo-3-methyl-4-nitrophenol is Cc1c([N+](=O)[O-])cc(Br)c(O)c1Br.
What is the InChIKey of 2,6-dibromo-3-methyl-4-nitrophenol?
The InChIKey is IPHPHFJJKHXWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2NO3/c1-3-5(10(12)13)2-4(8)7(11)6(3)9/h2,11H,1H3.
What are the key properties of 2,6-dibromo-3-methyl-4-nitrophenol?
2,6-dibromo-3-methyl-4-nitrophenol has a molecular weight of 310.93 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-3-methyl-4-nitrophenol is sourced from PubChem (CID 2769633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).