2-bromo-3-fluoro-4-[(2R)-2-hydroxypropoxy]benzonitrile

C10H9BrFNO2 — CID 156855931

IUPAC2-bromo-3-fluoro-4-[(2R)-2-hydroxypropoxy]benzonitrile
SMILESC[C@@H](O)COc1ccc(C#N)c(Br)c1F
InChIInChI=1S/C10H9BrFNO2/c1-6(14)5-15-8-3-2-7(4-13)9(11)10(8)12/h2-3,6,14H,5H2,1H3/t6-/m1/s1
InChIKeyIJGYECXBBBTACH-ZCFIWIBFSA-N
MW274.09 g/mol
LogP2.22
Rot. Bonds3

About 2-bromo-3-fluoro-4-[(2R)-2-hydroxypropoxy]benzonitrile

2-bromo-3-fluoro-4-[(2R)-2-hydroxypropoxy]benzonitrile (PubChem CID 156855931) has the molecular formula C10H9BrFNO2 and a molecular weight of 274.09 g/mol. Its IUPAC name is 2-bromo-3-fluoro-4-[(2R)-2-hydroxypropoxy]benzonitrile.

Molecular Properties

Compound Name2-bromo-3-fluoro-4-[(2R)-2-hydroxypropoxy]benzonitrile
PubChem CID156855931
Molecular FormulaC10H9BrFNO2
Molecular Weight274.09 g/mol
Exact Mass272.98
IUPAC Name2-bromo-3-fluoro-4-[(2R)-2-hydroxypropoxy]benzonitrile
SMILESC[C@@H](O)COc1ccc(C#N)c(Br)c1F
InChIInChI=1S/C10H9BrFNO2/c1-6(14)5-15-8-3-2-7(4-13)9(11)10(8)12/h2-3,6,14H,5H2,1H3/t6-/m1/s1
InChIKeyIJGYECXBBBTACH-ZCFIWIBFSA-N
XLogP2.22
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.09
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-(2,2-difluoroethoxy)-3-fluorobenzonitrile
CID 107534426
2-bromo-3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzonitrile
CID 107534437
2-bromo-3-fluoro-4-(2-propoxyethoxy)benzonitrile
CID 107534385
2-bromo-4-(2-cyclopropylethoxy)-3-fluorobenzonitrile
CID 106201470
2-bromo-3-fluoro-4-[2-(3-methoxypropoxy)ethoxy]benzonitrile
CID 107534458
2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluorobenzonitrile
CID 168990714
2-bromo-3-fluoro-4-(2-methylpropylsulfanyl)benzonitrile
CID 107536877
methyl 3-(3-bromo-4-cyano-2-fluorophenyl)sulfanyl-2-methylpropanoate
CID 107535760
4-[(1-aminocycloheptyl)methoxy]-2-bromo-3-fluorobenzonitrile
CID 107539832
2-bromo-3-fluoro-4-(2-hydroxypentylamino)benzonitrile
CID 107537406
2-bromo-4-(2,3-dimethylphenoxy)-3-fluorobenzonitrile
CID 107534253
4-[(4-acetylmorpholin-2-yl)methoxy]-2-bromo-3-fluorobenzonitrile
CID 166758670

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-4-[(2R)-2-hydroxypropoxy]benzonitrile?
The IUPAC name of 2-bromo-3-fluoro-4-[(2R)-2-hydroxypropoxy]benzonitrile (CID 156855931) is 2-bromo-3-fluoro-4-[(2R)-2-hydroxypropoxy]benzonitrile.
What is the SMILES notation for 2-bromo-3-fluoro-4-[(2R)-2-hydroxypropoxy]benzonitrile?
The canonical SMILES for 2-bromo-3-fluoro-4-[(2R)-2-hydroxypropoxy]benzonitrile is C[C@@H](O)COc1ccc(C#N)c(Br)c1F.
What is the InChIKey of 2-bromo-3-fluoro-4-[(2R)-2-hydroxypropoxy]benzonitrile?
The InChIKey is IJGYECXBBBTACH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H9BrFNO2/c1-6(14)5-15-8-3-2-7(4-13)9(11)10(8)12/h2-3,6,14H,5H2,1H3/t6-/m1/s1.
What are the key properties of 2-bromo-3-fluoro-4-[(2R)-2-hydroxypropoxy]benzonitrile?
2-bromo-3-fluoro-4-[(2R)-2-hydroxypropoxy]benzonitrile has a molecular weight of 274.09 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-4-[(2R)-2-hydroxypropoxy]benzonitrile is sourced from PubChem (CID 156855931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).