2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetonitrile

C8H5BrFNO — CID 84793424

IUPAC2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetonitrile
SMILESN#CCc1c(F)ccc(Br)c1O
InChIInChI=1S/C8H5BrFNO/c9-6-1-2-7(10)5(3-4-11)8(6)12/h1-2,12H,3H2
InChIKeyGRISGZKXLUZPKX-UHFFFAOYSA-N
MW230.04 g/mol
LogP2.36
Rot. Bonds1

About 2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetonitrile

2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetonitrile (PubChem CID 84793424) has the molecular formula C8H5BrFNO and a molecular weight of 230.04 g/mol. Its IUPAC name is 2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetonitrile
PubChem CID84793424
Molecular FormulaC8H5BrFNO
Molecular Weight230.04 g/mol
Exact Mass228.95
IUPAC Name2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetonitrile
SMILESN#CCc1c(F)ccc(Br)c1O
InChIInChI=1S/C8H5BrFNO/c9-6-1-2-7(10)5(3-4-11)8(6)12/h1-2,12H,3H2
InChIKeyGRISGZKXLUZPKX-UHFFFAOYSA-N
XLogP2.36
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.04
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-ethyl-3-fluorophenol
CID 130713861
2-[3,6-dibromo-2-(cyanomethyl)phenyl]acetonitrile
CID 153406802
2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetaldehyde
CID 83895378
2-(3-aminopropyl)-6-bromo-3-fluorophenol
CID 83900259
1-(3-bromo-6-fluoro-2-hydroxyphenyl)propan-2-one
CID 83900120
3-bromo-6-fluorobenzene-1,2-diol
CID 45093034
3-(3-bromo-6-fluoro-2-hydroxyphenyl)propanoic acid
CID 84710938
2-(3-bromo-2-fluoro-6-iodophenyl)acetonitrile
CID 131100566
2-(3-chloro-2,6-difluorophenyl)acetonitrile
CID 2773576
2-(2,4-dibromo-6-fluorophenyl)acetonitrile
CID 2773983
2-(4-bromo-5-fluoro-2-hydroxyphenyl)acetonitrile
CID 84793433
2-(aminomethyl)-6-bromo-3-fluorobenzonitrile
CID 171013972

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetonitrile?
The IUPAC name of 2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetonitrile (CID 84793424) is 2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetonitrile.
What is the SMILES notation for 2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetonitrile?
The canonical SMILES for 2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetonitrile is N#CCc1c(F)ccc(Br)c1O.
What is the InChIKey of 2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetonitrile?
The InChIKey is GRISGZKXLUZPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFNO/c9-6-1-2-7(10)5(3-4-11)8(6)12/h1-2,12H,3H2.
What are the key properties of 2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetonitrile?
2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetonitrile has a molecular weight of 230.04 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetonitrile is sourced from PubChem (CID 84793424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).