6-bromo-3-(difluoromethyl)-2-nitrophenol

C7H4BrF2NO3 — CID 171006989

IUPAC6-bromo-3-(difluoromethyl)-2-nitrophenol
SMILESO=[N+]([O-])c1c(C(F)F)ccc(Br)c1O
InChIInChI=1S/C7H4BrF2NO3/c8-4-2-1-3(7(9)10)5(6(4)12)11(13)14/h1-2,7,12H
InChIKeyNKNVQQFYANGJOB-UHFFFAOYSA-N
MW268.01 g/mol
LogP3.00
Rot. Bonds2

About 6-bromo-3-(difluoromethyl)-2-nitrophenol

6-bromo-3-(difluoromethyl)-2-nitrophenol (PubChem CID 171006989) has the molecular formula C7H4BrF2NO3 and a molecular weight of 268.01 g/mol. Its IUPAC name is 6-bromo-3-(difluoromethyl)-2-nitrophenol.

Molecular Properties

Compound Name6-bromo-3-(difluoromethyl)-2-nitrophenol
PubChem CID171006989
Molecular FormulaC7H4BrF2NO3
Molecular Weight268.01 g/mol
Exact Mass266.93
IUPAC Name6-bromo-3-(difluoromethyl)-2-nitrophenol
SMILESO=[N+]([O-])c1c(C(F)F)ccc(Br)c1O
InChIInChI=1S/C7H4BrF2NO3/c8-4-2-1-3(7(9)10)5(6(4)12)11(13)14/h1-2,7,12H
InChIKeyNKNVQQFYANGJOB-UHFFFAOYSA-N
XLogP3.00
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.01
LogP ≤ 53.00
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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(difluoromethyl)-2-nitrophenol?
The IUPAC name of 6-bromo-3-(difluoromethyl)-2-nitrophenol (CID 171006989) is 6-bromo-3-(difluoromethyl)-2-nitrophenol.
What is the SMILES notation for 6-bromo-3-(difluoromethyl)-2-nitrophenol?
The canonical SMILES for 6-bromo-3-(difluoromethyl)-2-nitrophenol is O=[N+]([O-])c1c(C(F)F)ccc(Br)c1O.
What is the InChIKey of 6-bromo-3-(difluoromethyl)-2-nitrophenol?
The InChIKey is NKNVQQFYANGJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2NO3/c8-4-2-1-3(7(9)10)5(6(4)12)11(13)14/h1-2,7,12H.
What are the key properties of 6-bromo-3-(difluoromethyl)-2-nitrophenol?
6-bromo-3-(difluoromethyl)-2-nitrophenol has a molecular weight of 268.01 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(difluoromethyl)-2-nitrophenol is sourced from PubChem (CID 171006989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).