2-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)propanenitrile

C9H7ClFNO2 — CID 84784267

IUPAC2-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)propanenitrile
SMILESCC(C#N)c1cc(Cl)c(O)c(F)c1O
InChIInChI=1S/C9H7ClFNO2/c1-4(3-12)5-2-6(10)9(14)7(11)8(5)13/h2,4,13-14H,1H3
InChIKeyZUCWSHZLKIAZAV-UHFFFAOYSA-N
MW215.61 g/mol
LogP2.52
Rot. Bonds1

About 2-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)propanenitrile

2-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)propanenitrile (PubChem CID 84784267) has the molecular formula C9H7ClFNO2 and a molecular weight of 215.61 g/mol. Its IUPAC name is 2-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)propanenitrile.

Molecular Properties

Compound Name2-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)propanenitrile
PubChem CID84784267
Molecular FormulaC9H7ClFNO2
Molecular Weight215.61 g/mol
Exact Mass215.01
IUPAC Name2-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)propanenitrile
SMILESCC(C#N)c1cc(Cl)c(O)c(F)c1O
InChIInChI=1S/C9H7ClFNO2/c1-4(3-12)5-2-6(10)9(14)7(11)8(5)13/h2,4,13-14H,1H3
InChIKeyZUCWSHZLKIAZAV-UHFFFAOYSA-N
XLogP2.52
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.61
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)propanenitrile?
The IUPAC name of 2-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)propanenitrile (CID 84784267) is 2-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)propanenitrile.
What is the SMILES notation for 2-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)propanenitrile?
The canonical SMILES for 2-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)propanenitrile is CC(C#N)c1cc(Cl)c(O)c(F)c1O.
What is the InChIKey of 2-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)propanenitrile?
The InChIKey is ZUCWSHZLKIAZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFNO2/c1-4(3-12)5-2-6(10)9(14)7(11)8(5)13/h2,4,13-14H,1H3.
What are the key properties of 2-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)propanenitrile?
2-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)propanenitrile has a molecular weight of 215.61 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)propanenitrile is sourced from PubChem (CID 84784267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).