5-fluoro-2-pyridin-2-ylsulfanylbenzaldehyde

C12H8FNOS — CID 63803028

IUPAC5-fluoro-2-pyridin-2-ylsulfanylbenzaldehyde
SMILESO=Cc1cc(F)ccc1Sc1ccccn1
InChIInChI=1S/C12H8FNOS/c13-10-4-5-11(9(7-10)8-15)16-12-3-1-2-6-14-12/h1-8H
InChIKeyGALNVPZZYAHNHF-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.18
Rot. Bonds3

About 5-fluoro-2-pyridin-2-ylsulfanylbenzaldehyde

5-fluoro-2-pyridin-2-ylsulfanylbenzaldehyde (PubChem CID 63803028) has the molecular formula C12H8FNOS and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-fluoro-2-pyridin-2-ylsulfanylbenzaldehyde.

Molecular Properties

Compound Name5-fluoro-2-pyridin-2-ylsulfanylbenzaldehyde
PubChem CID63803028
Molecular FormulaC12H8FNOS
Molecular Weight233.27 g/mol
Exact Mass233.03
IUPAC Name5-fluoro-2-pyridin-2-ylsulfanylbenzaldehyde
SMILESO=Cc1cc(F)ccc1Sc1ccccn1
InChIInChI=1S/C12H8FNOS/c13-10-4-5-11(9(7-10)8-15)16-12-3-1-2-6-14-12/h1-8H
InChIKeyGALNVPZZYAHNHF-UHFFFAOYSA-N
XLogP3.18
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
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 5-fluoro-2-pyridin-2-ylsulfanylbenzaldehyde?
The IUPAC name of 5-fluoro-2-pyridin-2-ylsulfanylbenzaldehyde (CID 63803028) is 5-fluoro-2-pyridin-2-ylsulfanylbenzaldehyde.
What is the SMILES notation for 5-fluoro-2-pyridin-2-ylsulfanylbenzaldehyde?
The canonical SMILES for 5-fluoro-2-pyridin-2-ylsulfanylbenzaldehyde is O=Cc1cc(F)ccc1Sc1ccccn1.
What is the InChIKey of 5-fluoro-2-pyridin-2-ylsulfanylbenzaldehyde?
The InChIKey is GALNVPZZYAHNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNOS/c13-10-4-5-11(9(7-10)8-15)16-12-3-1-2-6-14-12/h1-8H.
What are the key properties of 5-fluoro-2-pyridin-2-ylsulfanylbenzaldehyde?
5-fluoro-2-pyridin-2-ylsulfanylbenzaldehyde has a molecular weight of 233.27 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-pyridin-2-ylsulfanylbenzaldehyde is sourced from PubChem (CID 63803028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).