5-fluoro-2,4,6-trihydroxybenzene-1,3-dicarbonitrile

C8H3FN2O3 — CID 139625303

IUPAC5-fluoro-2,4,6-trihydroxybenzene-1,3-dicarbonitrile
SMILESN#Cc1c(O)c(F)c(O)c(C#N)c1O
InChIInChI=1S/C8H3FN2O3/c9-5-7(13)3(1-10)6(12)4(2-11)8(5)14/h12-14H
InChIKeyHCEJSULVVUJWEZ-UHFFFAOYSA-N
MW194.12 g/mol
LogP0.69
Rot. Bonds

About 5-fluoro-2,4,6-trihydroxybenzene-1,3-dicarbonitrile

5-fluoro-2,4,6-trihydroxybenzene-1,3-dicarbonitrile (PubChem CID 139625303) has the molecular formula C8H3FN2O3 and a molecular weight of 194.12 g/mol. Its IUPAC name is 5-fluoro-2,4,6-trihydroxybenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-fluoro-2,4,6-trihydroxybenzene-1,3-dicarbonitrile
PubChem CID139625303
Molecular FormulaC8H3FN2O3
Molecular Weight194.12 g/mol
Exact Mass194.01
IUPAC Name5-fluoro-2,4,6-trihydroxybenzene-1,3-dicarbonitrile
SMILESN#Cc1c(O)c(F)c(O)c(C#N)c1O
InChIInChI=1S/C8H3FN2O3/c9-5-7(13)3(1-10)6(12)4(2-11)8(5)14/h12-14H
InChIKeyHCEJSULVVUJWEZ-UHFFFAOYSA-N
XLogP0.69
TPSA108.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,4,6-trihydroxybenzene-1,3-dicarbonitrile?
The IUPAC name of 5-fluoro-2,4,6-trihydroxybenzene-1,3-dicarbonitrile (CID 139625303) is 5-fluoro-2,4,6-trihydroxybenzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-fluoro-2,4,6-trihydroxybenzene-1,3-dicarbonitrile?
The canonical SMILES for 5-fluoro-2,4,6-trihydroxybenzene-1,3-dicarbonitrile is N#Cc1c(O)c(F)c(O)c(C#N)c1O.
What is the InChIKey of 5-fluoro-2,4,6-trihydroxybenzene-1,3-dicarbonitrile?
The InChIKey is HCEJSULVVUJWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3FN2O3/c9-5-7(13)3(1-10)6(12)4(2-11)8(5)14/h12-14H.
What are the key properties of 5-fluoro-2,4,6-trihydroxybenzene-1,3-dicarbonitrile?
5-fluoro-2,4,6-trihydroxybenzene-1,3-dicarbonitrile has a molecular weight of 194.12 g/mol, XLogP of 0.69, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4,6-trihydroxybenzene-1,3-dicarbonitrile is sourced from PubChem (CID 139625303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).