2-bromo-6-fluoro-4-hydroxybenzonitrile

C7H3BrFNO — CID 119017796

IUPAC2-bromo-6-fluoro-4-hydroxybenzonitrile
SMILESN#Cc1c(F)cc(O)cc1Br
InChIInChI=1S/C7H3BrFNO/c8-6-1-4(11)2-7(9)5(6)3-10/h1-2,11H
InChIKeyXJAVJCYSDRIVDE-UHFFFAOYSA-N
MW216.01 g/mol
LogP2.17
Rot. Bonds

About 2-bromo-6-fluoro-4-hydroxybenzonitrile

2-bromo-6-fluoro-4-hydroxybenzonitrile (PubChem CID 119017796) has the molecular formula C7H3BrFNO and a molecular weight of 216.01 g/mol. Its IUPAC name is 2-bromo-6-fluoro-4-hydroxybenzonitrile.

Molecular Properties

Compound Name2-bromo-6-fluoro-4-hydroxybenzonitrile
PubChem CID119017796
Molecular FormulaC7H3BrFNO
Molecular Weight216.01 g/mol
Exact Mass214.94
IUPAC Name2-bromo-6-fluoro-4-hydroxybenzonitrile
SMILESN#Cc1c(F)cc(O)cc1Br
InChIInChI=1S/C7H3BrFNO/c8-6-1-4(11)2-7(9)5(6)3-10/h1-2,11H
InChIKeyXJAVJCYSDRIVDE-UHFFFAOYSA-N
XLogP2.17
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.01
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-cyano-5-hydroxybenzoic acid
CID 121227769
2-bromo-6-fluorobenzene-1,4-diol
CID 84674762
3-bromo-2,5-difluoro-6-hydroxybenzonitrile
CID 117339712
2-(2-chloroacetyl)-6-fluoro-4-hydroxybenzonitrile
CID 171020679
methyl 2-(3-bromo-4-cyano-5-fluorophenyl)acetate
CID 131402010
2,4-dibromo-6-fluoro-3-methylbenzonitrile
CID 177254799
3-bromo-2,4,6-trifluorobenzonitrile
CID 117344080
3,5-difluoro-4-(3-hydroxyprop-1-ynyl)phenol
CID 163323399
6-bromo-4-fluoro-2,3-dimethoxybenzonitrile
CID 117403749
5-bromo-2-fluoro-4-hydroxybenzonitrile
CID 90427411
2-amino-3-bromo-4,6-difluorobenzonitrile
CID 102742071
4-bromo-3-(2,3-dihydroxypropyl)-6-fluoro-2-hydroxybenzonitrile
CID 168942551

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-4-hydroxybenzonitrile?
The IUPAC name of 2-bromo-6-fluoro-4-hydroxybenzonitrile (CID 119017796) is 2-bromo-6-fluoro-4-hydroxybenzonitrile.
What is the SMILES notation for 2-bromo-6-fluoro-4-hydroxybenzonitrile?
The canonical SMILES for 2-bromo-6-fluoro-4-hydroxybenzonitrile is N#Cc1c(F)cc(O)cc1Br.
What is the InChIKey of 2-bromo-6-fluoro-4-hydroxybenzonitrile?
The InChIKey is XJAVJCYSDRIVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrFNO/c8-6-1-4(11)2-7(9)5(6)3-10/h1-2,11H.
What are the key properties of 2-bromo-6-fluoro-4-hydroxybenzonitrile?
2-bromo-6-fluoro-4-hydroxybenzonitrile has a molecular weight of 216.01 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-4-hydroxybenzonitrile is sourced from PubChem (CID 119017796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).