2-fluoro-4-formyl-5-hydroxybenzonitrile

C8H4FNO2 — CID 130063154

IUPAC2-fluoro-4-formyl-5-hydroxybenzonitrile
SMILESN#Cc1cc(O)c(C=O)cc1F
InChIInChI=1S/C8H4FNO2/c9-7-1-6(4-11)8(12)2-5(7)3-10/h1-2,4,12H
InChIKeyQHWWQBYVAVCSCK-UHFFFAOYSA-N
MW165.12 g/mol
LogP1.22
Rot. Bonds1

About 2-fluoro-4-formyl-5-hydroxybenzonitrile

2-fluoro-4-formyl-5-hydroxybenzonitrile (PubChem CID 130063154) has the molecular formula C8H4FNO2 and a molecular weight of 165.12 g/mol. Its IUPAC name is 2-fluoro-4-formyl-5-hydroxybenzonitrile.

Molecular Properties

Compound Name2-fluoro-4-formyl-5-hydroxybenzonitrile
PubChem CID130063154
Molecular FormulaC8H4FNO2
Molecular Weight165.12 g/mol
Exact Mass165.02
IUPAC Name2-fluoro-4-formyl-5-hydroxybenzonitrile
SMILESN#Cc1cc(O)c(C=O)cc1F
InChIInChI=1S/C8H4FNO2/c9-7-1-6(4-11)8(12)2-5(7)3-10/h1-2,4,12H
InChIKeyQHWWQBYVAVCSCK-UHFFFAOYSA-N
XLogP1.22
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.12
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-formyl-5-hydroxybenzonitrile?
The IUPAC name of 2-fluoro-4-formyl-5-hydroxybenzonitrile (CID 130063154) is 2-fluoro-4-formyl-5-hydroxybenzonitrile.
What is the SMILES notation for 2-fluoro-4-formyl-5-hydroxybenzonitrile?
The canonical SMILES for 2-fluoro-4-formyl-5-hydroxybenzonitrile is N#Cc1cc(O)c(C=O)cc1F.
What is the InChIKey of 2-fluoro-4-formyl-5-hydroxybenzonitrile?
The InChIKey is QHWWQBYVAVCSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FNO2/c9-7-1-6(4-11)8(12)2-5(7)3-10/h1-2,4,12H.
What are the key properties of 2-fluoro-4-formyl-5-hydroxybenzonitrile?
2-fluoro-4-formyl-5-hydroxybenzonitrile has a molecular weight of 165.12 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-formyl-5-hydroxybenzonitrile is sourced from PubChem (CID 130063154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).