5-fluoro-3-formyl-2-hydroxybenzonitrile

C8H4FNO2 — CID 130063153

IUPAC5-fluoro-3-formyl-2-hydroxybenzonitrile
SMILESN#Cc1cc(F)cc(C=O)c1O
InChIInChI=1S/C8H4FNO2/c9-7-1-5(3-10)8(12)6(2-7)4-11/h1-2,4,12H
InChIKeyYFTLETBFJGMIAR-UHFFFAOYSA-N
MW165.12 g/mol
LogP1.22
Rot. Bonds1

About 5-fluoro-3-formyl-2-hydroxybenzonitrile

5-fluoro-3-formyl-2-hydroxybenzonitrile (PubChem CID 130063153) has the molecular formula C8H4FNO2 and a molecular weight of 165.12 g/mol. Its IUPAC name is 5-fluoro-3-formyl-2-hydroxybenzonitrile.

Molecular Properties

Compound Name5-fluoro-3-formyl-2-hydroxybenzonitrile
PubChem CID130063153
Molecular FormulaC8H4FNO2
Molecular Weight165.12 g/mol
Exact Mass165.02
IUPAC Name5-fluoro-3-formyl-2-hydroxybenzonitrile
SMILESN#Cc1cc(F)cc(C=O)c1O
InChIInChI=1S/C8H4FNO2/c9-7-1-5(3-10)8(12)6(2-7)4-11/h1-2,4,12H
InChIKeyYFTLETBFJGMIAR-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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Related Compounds

2-fluoro-4-formyl-5-hydroxybenzonitrile
CID 130063154
3-bromo-5-fluoro-2-hydroxybenzonitrile
CID 23148942
methyl 3-cyano-5-fluoro-2-hydroxybenzoate
CID 130951356
3-[(dimethylamino)methyl]-5-fluoro-2-hydroxybenzaldehyde
CID 83484910
2-acetyl-4-fluoro-6-formylbenzonitrile
CID 171031151
3-(cyanomethyl)-5-fluoro-2-hydroxybenzonitrile
CID 131536390
methyl 3-cyano-5-fluoro-2-formylbenzoate
CID 131475033
4-cyano-5-fluoro-2-formylbenzamide
CID 171015999
3-(1-aminoethyl)-5-fluoro-2-hydroxybenzonitrile
CID 130062616
3,5-difluoro-2-hydroxybenzaldehyde;2,4-difluorophenol
CID 159523746
2-acetyl-3-formyl-5-hydroxybenzonitrile
CID 171031228
3,5-difluoro-2,4-dihydroxybenzaldehyde
CID 18942327

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-formyl-2-hydroxybenzonitrile?
The IUPAC name of 5-fluoro-3-formyl-2-hydroxybenzonitrile (CID 130063153) is 5-fluoro-3-formyl-2-hydroxybenzonitrile.
What is the SMILES notation for 5-fluoro-3-formyl-2-hydroxybenzonitrile?
The canonical SMILES for 5-fluoro-3-formyl-2-hydroxybenzonitrile is N#Cc1cc(F)cc(C=O)c1O.
What is the InChIKey of 5-fluoro-3-formyl-2-hydroxybenzonitrile?
The InChIKey is YFTLETBFJGMIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FNO2/c9-7-1-5(3-10)8(12)6(2-7)4-11/h1-2,4,12H.
What are the key properties of 5-fluoro-3-formyl-2-hydroxybenzonitrile?
5-fluoro-3-formyl-2-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 5-fluoro-3-formyl-2-hydroxybenzonitrile is sourced from PubChem (CID 130063153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).