3-fluoro-2-hydroxy-5-pyridin-3-ylbenzaldehyde

C12H8FNO2 — CID 59599719

IUPAC3-fluoro-2-hydroxy-5-pyridin-3-ylbenzaldehyde
SMILESO=Cc1cc(-c2cccnc2)cc(F)c1O
InChIInChI=1S/C12H8FNO2/c13-11-5-9(4-10(7-15)12(11)16)8-2-1-3-14-6-8/h1-7,16H
InChIKeyNVTGSOKDKHGFDY-UHFFFAOYSA-N
MW217.20 g/mol
LogP2.41
Rot. Bonds2

About 3-fluoro-2-hydroxy-5-pyridin-3-ylbenzaldehyde

3-fluoro-2-hydroxy-5-pyridin-3-ylbenzaldehyde (PubChem CID 59599719) has the molecular formula C12H8FNO2 and a molecular weight of 217.20 g/mol. Its IUPAC name is 3-fluoro-2-hydroxy-5-pyridin-3-ylbenzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-hydroxy-5-pyridin-3-ylbenzaldehyde
PubChem CID59599719
Molecular FormulaC12H8FNO2
Molecular Weight217.20 g/mol
Exact Mass217.05
IUPAC Name3-fluoro-2-hydroxy-5-pyridin-3-ylbenzaldehyde
SMILESO=Cc1cc(-c2cccnc2)cc(F)c1O
InChIInChI=1S/C12H8FNO2/c13-11-5-9(4-10(7-15)12(11)16)8-2-1-3-14-6-8/h1-7,16H
InChIKeyNVTGSOKDKHGFDY-UHFFFAOYSA-N
XLogP2.41
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 52.41
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 3-fluoro-2-hydroxy-5-pyridin-3-ylbenzaldehyde?
The IUPAC name of 3-fluoro-2-hydroxy-5-pyridin-3-ylbenzaldehyde (CID 59599719) is 3-fluoro-2-hydroxy-5-pyridin-3-ylbenzaldehyde.
What is the SMILES notation for 3-fluoro-2-hydroxy-5-pyridin-3-ylbenzaldehyde?
The canonical SMILES for 3-fluoro-2-hydroxy-5-pyridin-3-ylbenzaldehyde is O=Cc1cc(-c2cccnc2)cc(F)c1O.
What is the InChIKey of 3-fluoro-2-hydroxy-5-pyridin-3-ylbenzaldehyde?
The InChIKey is NVTGSOKDKHGFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO2/c13-11-5-9(4-10(7-15)12(11)16)8-2-1-3-14-6-8/h1-7,16H.
What are the key properties of 3-fluoro-2-hydroxy-5-pyridin-3-ylbenzaldehyde?
3-fluoro-2-hydroxy-5-pyridin-3-ylbenzaldehyde has a molecular weight of 217.20 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydroxy-5-pyridin-3-ylbenzaldehyde is sourced from PubChem (CID 59599719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).