3-formyl-4-hydroxybenzonitrile

C8H5NO2 — CID 11789350

IUPAC3-formyl-4-hydroxybenzonitrile
SMILESN#Cc1ccc(O)c(C=O)c1
InChIInChI=1S/C8H5NO2/c9-4-6-1-2-8(11)7(3-6)5-10/h1-3,5,11H
InChIKeyPHIANFGZFLCRDV-UHFFFAOYSA-N
MW147.13 g/mol
LogP1.08
Rot. Bonds1

About 3-formyl-4-hydroxybenzonitrile

3-formyl-4-hydroxybenzonitrile (PubChem CID 11789350) has the molecular formula C8H5NO2 and a molecular weight of 147.13 g/mol. Its IUPAC name is 3-formyl-4-hydroxybenzonitrile.

Molecular Properties

Compound Name3-formyl-4-hydroxybenzonitrile
PubChem CID11789350
Molecular FormulaC8H5NO2
Molecular Weight147.13 g/mol
Exact Mass147.03
IUPAC Name3-formyl-4-hydroxybenzonitrile
SMILESN#Cc1ccc(O)c(C=O)c1
InChIInChI=1S/C8H5NO2/c9-4-6-1-2-8(11)7(3-6)5-10/h1-3,5,11H
InChIKeyPHIANFGZFLCRDV-UHFFFAOYSA-N
XLogP1.08
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[2-(3-formyl-4-hydroxyphenyl)ethynyl]-2-hydroxybenzaldehyde
CID 102476635
3-bromo-4-formylbenzonitrile
CID 20510518
3-[[2-[(5-cyano-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]-4-hydroxybenzonitrile
CID 137086335
5-cyano-2-formylbenzoic acid
CID 130827836
3-(4-formyl-2-pyridinyl)-4-hydroxybenzonitrile
CID 136954901
2-(3-formyl-4-hydroxyphenyl)benzonitrile
CID 23005123
3-[(E)-but-1-enyl]-4-formylbenzonitrile
CID 145008151
4-(4-chlorophenyl)-3-formylbenzonitrile
CID 175454533
2-hydroxy-5-sulfanylbenzaldehyde
CID 90836240
CID 89097947
CID 89097947
2-hydroxy-5-[1,2,2-tris(3-formyl-4-hydroxyphenyl)ethenyl]benzaldehyde
CID 146013313
2-fluoro-4-formyl-5-hydroxybenzonitrile
CID 130063154

Frequently Asked Questions

What is the IUPAC name of 3-formyl-4-hydroxybenzonitrile?
The IUPAC name of 3-formyl-4-hydroxybenzonitrile (CID 11789350) is 3-formyl-4-hydroxybenzonitrile.
What is the SMILES notation for 3-formyl-4-hydroxybenzonitrile?
The canonical SMILES for 3-formyl-4-hydroxybenzonitrile is N#Cc1ccc(O)c(C=O)c1.
What is the InChIKey of 3-formyl-4-hydroxybenzonitrile?
The InChIKey is PHIANFGZFLCRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2/c9-4-6-1-2-8(11)7(3-6)5-10/h1-3,5,11H.
What are the key properties of 3-formyl-4-hydroxybenzonitrile?
3-formyl-4-hydroxybenzonitrile has a molecular weight of 147.13 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-4-hydroxybenzonitrile is sourced from PubChem (CID 11789350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).