2,4,6-trihydroxybenzene-1,3,5-tricarbonitrile

C9H3N3O3 — CID 10465414

IUPAC2,4,6-trihydroxybenzene-1,3,5-tricarbonitrile
SMILESN#Cc1c(O)c(C#N)c(O)c(C#N)c1O
InChIInChI=1S/C9H3N3O3/c10-1-4-7(13)5(2-11)9(15)6(3-12)8(4)14/h13-15H
InChIKeyKKCZOXVRAOBMOU-UHFFFAOYSA-N
MW201.14 g/mol
LogP0.42
Rot. Bonds

About 2,4,6-trihydroxybenzene-1,3,5-tricarbonitrile

2,4,6-trihydroxybenzene-1,3,5-tricarbonitrile (PubChem CID 10465414) has the molecular formula C9H3N3O3 and a molecular weight of 201.14 g/mol. Its IUPAC name is 2,4,6-trihydroxybenzene-1,3,5-tricarbonitrile.

Molecular Properties

Compound Name2,4,6-trihydroxybenzene-1,3,5-tricarbonitrile
PubChem CID10465414
Molecular FormulaC9H3N3O3
Molecular Weight201.14 g/mol
Exact Mass201.02
IUPAC Name2,4,6-trihydroxybenzene-1,3,5-tricarbonitrile
SMILESN#Cc1c(O)c(C#N)c(O)c(C#N)c1O
InChIInChI=1S/C9H3N3O3/c10-1-4-7(13)5(2-11)9(15)6(3-12)8(4)14/h13-15H
InChIKeyKKCZOXVRAOBMOU-UHFFFAOYSA-N
XLogP0.42
TPSA132.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trihydroxybenzene-1,3,5-tricarbonitrile?
The IUPAC name of 2,4,6-trihydroxybenzene-1,3,5-tricarbonitrile (CID 10465414) is 2,4,6-trihydroxybenzene-1,3,5-tricarbonitrile.
What is the SMILES notation for 2,4,6-trihydroxybenzene-1,3,5-tricarbonitrile?
The canonical SMILES for 2,4,6-trihydroxybenzene-1,3,5-tricarbonitrile is N#Cc1c(O)c(C#N)c(O)c(C#N)c1O.
What is the InChIKey of 2,4,6-trihydroxybenzene-1,3,5-tricarbonitrile?
The InChIKey is KKCZOXVRAOBMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3N3O3/c10-1-4-7(13)5(2-11)9(15)6(3-12)8(4)14/h13-15H.
What are the key properties of 2,4,6-trihydroxybenzene-1,3,5-tricarbonitrile?
2,4,6-trihydroxybenzene-1,3,5-tricarbonitrile has a molecular weight of 201.14 g/mol, XLogP of 0.42, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trihydroxybenzene-1,3,5-tricarbonitrile is sourced from PubChem (CID 10465414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).