2,4,6-trihydroxybenzonitrile

C7H5NO3 — CID 19910475

IUPAC2,4,6-trihydroxybenzonitrile
SMILESN#Cc1c(O)cc(O)cc1O
InChIInChI=1S/C7H5NO3/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2,9-11H
InChIKeySVXJEMXCYNAJJM-UHFFFAOYSA-N
MW151.12 g/mol
LogP0.68
Rot. Bonds

About 2,4,6-trihydroxybenzonitrile

2,4,6-trihydroxybenzonitrile (PubChem CID 19910475) has the molecular formula C7H5NO3 and a molecular weight of 151.12 g/mol. Its IUPAC name is 2,4,6-trihydroxybenzonitrile.

Molecular Properties

Compound Name2,4,6-trihydroxybenzonitrile
PubChem CID19910475
Molecular FormulaC7H5NO3
Molecular Weight151.12 g/mol
Exact Mass151.03
IUPAC Name2,4,6-trihydroxybenzonitrile
SMILESN#Cc1c(O)cc(O)cc1O
InChIInChI=1S/C7H5NO3/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2,9-11H
InChIKeySVXJEMXCYNAJJM-UHFFFAOYSA-N
XLogP0.68
TPSA84.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trihydroxybenzonitrile?
The IUPAC name of 2,4,6-trihydroxybenzonitrile (CID 19910475) is 2,4,6-trihydroxybenzonitrile.
What is the SMILES notation for 2,4,6-trihydroxybenzonitrile?
The canonical SMILES for 2,4,6-trihydroxybenzonitrile is N#Cc1c(O)cc(O)cc1O.
What is the InChIKey of 2,4,6-trihydroxybenzonitrile?
The InChIKey is SVXJEMXCYNAJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO3/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2,9-11H.
What are the key properties of 2,4,6-trihydroxybenzonitrile?
2,4,6-trihydroxybenzonitrile has a molecular weight of 151.12 g/mol, XLogP of 0.68, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trihydroxybenzonitrile is sourced from PubChem (CID 19910475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).