2-(4-bromo-5-fluoro-2-hydroxyphenyl)acetonitrile

C8H5BrFNO — CID 84793433

IUPAC2-(4-bromo-5-fluoro-2-hydroxyphenyl)acetonitrile
SMILESN#CCc1cc(F)c(Br)cc1O
InChIInChI=1S/C8H5BrFNO/c9-6-4-8(12)5(1-2-11)3-7(6)10/h3-4,12H,1H2
InChIKeyBOGIUKCMBMAMKP-UHFFFAOYSA-N
MW230.04 g/mol
LogP2.36
Rot. Bonds1

About 2-(4-bromo-5-fluoro-2-hydroxyphenyl)acetonitrile

2-(4-bromo-5-fluoro-2-hydroxyphenyl)acetonitrile (PubChem CID 84793433) has the molecular formula C8H5BrFNO and a molecular weight of 230.04 g/mol. Its IUPAC name is 2-(4-bromo-5-fluoro-2-hydroxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(4-bromo-5-fluoro-2-hydroxyphenyl)acetonitrile
PubChem CID84793433
Molecular FormulaC8H5BrFNO
Molecular Weight230.04 g/mol
Exact Mass228.95
IUPAC Name2-(4-bromo-5-fluoro-2-hydroxyphenyl)acetonitrile
SMILESN#CCc1cc(F)c(Br)cc1O
InChIInChI=1S/C8H5BrFNO/c9-6-4-8(12)5(1-2-11)3-7(6)10/h3-4,12H,1H2
InChIKeyBOGIUKCMBMAMKP-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

2-(4-bromo-5-fluoro-2-methoxyphenyl)acetonitrile
CID 84802364
2-(5-bromo-4-fluoro-2,3-dihydroxyphenyl)acetonitrile
CID 84802980
2-(2-bromo-5-fluoro-4-methylphenyl)acetonitrile
CID 131628332
2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetonitrile
CID 84793428
3-(4-bromo-2,5-difluorophenyl)propanenitrile
CID 84802994
2-(2-bromo-5-fluoro-4-methoxyphenyl)acetonitrile
CID 19261417
2-(3-bromo-2-fluoro-4-hydroxyphenyl)acetonitrile
CID 84793427
2-(5-bromo-2,3-difluorophenyl)acetonitrile
CID 84795160
2-(2,3-difluoro-5-hydroxyphenyl)acetonitrile
CID 118815281
2-(3-chloro-2,4,5-trifluorophenyl)acetonitrile
CID 115111003
N-[5-bromo-4-(cyanomethyl)-2-fluorophenyl]-2,2,2-trifluoroacetamide
CID 171511680
2-(5-bromo-2-fluoro-4-methoxyphenyl)acetonitrile
CID 84802361

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-fluoro-2-hydroxyphenyl)acetonitrile?
The IUPAC name of 2-(4-bromo-5-fluoro-2-hydroxyphenyl)acetonitrile (CID 84793433) is 2-(4-bromo-5-fluoro-2-hydroxyphenyl)acetonitrile.
What is the SMILES notation for 2-(4-bromo-5-fluoro-2-hydroxyphenyl)acetonitrile?
The canonical SMILES for 2-(4-bromo-5-fluoro-2-hydroxyphenyl)acetonitrile is N#CCc1cc(F)c(Br)cc1O.
What is the InChIKey of 2-(4-bromo-5-fluoro-2-hydroxyphenyl)acetonitrile?
The InChIKey is BOGIUKCMBMAMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFNO/c9-6-4-8(12)5(1-2-11)3-7(6)10/h3-4,12H,1H2.
What are the key properties of 2-(4-bromo-5-fluoro-2-hydroxyphenyl)acetonitrile?
2-(4-bromo-5-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-(4-bromo-5-fluoro-2-hydroxyphenyl)acetonitrile is sourced from PubChem (CID 84793433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).