5-(4-bromo-1,3-thiazol-2-yl)-3-fluoro-2-hydroxybenzaldehyde

C10H5BrFNO2S — CID 155143447

IUPAC5-(4-bromo-1,3-thiazol-2-yl)-3-fluoro-2-hydroxybenzaldehyde
SMILESO=Cc1cc(-c2nc(Br)cs2)cc(F)c1O
InChIInChI=1S/C10H5BrFNO2S/c11-8-4-16-10(13-8)5-1-6(3-14)9(15)7(12)2-5/h1-4,15H
InChIKeyZMCVKXGMGFEUEF-UHFFFAOYSA-N
MW302.12 g/mol
LogP3.23
Rot. Bonds2

About 5-(4-bromo-1,3-thiazol-2-yl)-3-fluoro-2-hydroxybenzaldehyde

5-(4-bromo-1,3-thiazol-2-yl)-3-fluoro-2-hydroxybenzaldehyde (PubChem CID 155143447) has the molecular formula C10H5BrFNO2S and a molecular weight of 302.12 g/mol. Its IUPAC name is 5-(4-bromo-1,3-thiazol-2-yl)-3-fluoro-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-(4-bromo-1,3-thiazol-2-yl)-3-fluoro-2-hydroxybenzaldehyde
PubChem CID155143447
Molecular FormulaC10H5BrFNO2S
Molecular Weight302.12 g/mol
Exact Mass300.92
IUPAC Name5-(4-bromo-1,3-thiazol-2-yl)-3-fluoro-2-hydroxybenzaldehyde
SMILESO=Cc1cc(-c2nc(Br)cs2)cc(F)c1O
InChIInChI=1S/C10H5BrFNO2S/c11-8-4-16-10(13-8)5-1-6(3-14)9(15)7(12)2-5/h1-4,15H
InChIKeyZMCVKXGMGFEUEF-UHFFFAOYSA-N
XLogP3.23
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-bromo-1,3-thiazol-2-yl)-3-fluoro-2-hydroxybenzaldehyde?
The IUPAC name of 5-(4-bromo-1,3-thiazol-2-yl)-3-fluoro-2-hydroxybenzaldehyde (CID 155143447) is 5-(4-bromo-1,3-thiazol-2-yl)-3-fluoro-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-(4-bromo-1,3-thiazol-2-yl)-3-fluoro-2-hydroxybenzaldehyde?
The canonical SMILES for 5-(4-bromo-1,3-thiazol-2-yl)-3-fluoro-2-hydroxybenzaldehyde is O=Cc1cc(-c2nc(Br)cs2)cc(F)c1O.
What is the InChIKey of 5-(4-bromo-1,3-thiazol-2-yl)-3-fluoro-2-hydroxybenzaldehyde?
The InChIKey is ZMCVKXGMGFEUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrFNO2S/c11-8-4-16-10(13-8)5-1-6(3-14)9(15)7(12)2-5/h1-4,15H.
What are the key properties of 5-(4-bromo-1,3-thiazol-2-yl)-3-fluoro-2-hydroxybenzaldehyde?
5-(4-bromo-1,3-thiazol-2-yl)-3-fluoro-2-hydroxybenzaldehyde has a molecular weight of 302.12 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-1,3-thiazol-2-yl)-3-fluoro-2-hydroxybenzaldehyde is sourced from PubChem (CID 155143447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).