3-fluoro-2-hydroxybenzaldehyde

C7H5FO2 — CID 587788

IUPAC3-fluoro-2-hydroxybenzaldehyde
SMILESO=Cc1cccc(F)c1O
InChIInChI=1S/C7H5FO2/c8-6-3-1-2-5(4-9)7(6)10/h1-4,10H
InChIKeyNWDHTEIVMDYWQJ-UHFFFAOYSA-N
MW140.11 g/mol
LogP1.34
Rot. Bonds1

About 3-fluoro-2-hydroxybenzaldehyde

3-fluoro-2-hydroxybenzaldehyde (PubChem CID 587788) has the molecular formula C7H5FO2 and a molecular weight of 140.11 g/mol. Its IUPAC name is 3-fluoro-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-hydroxybenzaldehyde
PubChem CID587788
Molecular FormulaC7H5FO2
Molecular Weight140.11 g/mol
Exact Mass140.03
IUPAC Name3-fluoro-2-hydroxybenzaldehyde
SMILESO=Cc1cccc(F)c1O
InChIInChI=1S/C7H5FO2/c8-6-3-1-2-5(4-9)7(6)10/h1-4,10H
InChIKeyNWDHTEIVMDYWQJ-UHFFFAOYSA-N
XLogP1.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.11
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydroxybenzaldehyde?
The IUPAC name of 3-fluoro-2-hydroxybenzaldehyde (CID 587788) is 3-fluoro-2-hydroxybenzaldehyde.
What is the SMILES notation for 3-fluoro-2-hydroxybenzaldehyde?
The canonical SMILES for 3-fluoro-2-hydroxybenzaldehyde is O=Cc1cccc(F)c1O.
What is the InChIKey of 3-fluoro-2-hydroxybenzaldehyde?
The InChIKey is NWDHTEIVMDYWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-9)7(6)10/h1-4,10H.
What are the key properties of 3-fluoro-2-hydroxybenzaldehyde?
3-fluoro-2-hydroxybenzaldehyde has a molecular weight of 140.11 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydroxybenzaldehyde is sourced from PubChem (CID 587788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).