5-acetyl-3-fluoro-2-hydroxybenzaldehyde

C9H7FO3 — CID 170687896

IUPAC5-acetyl-3-fluoro-2-hydroxybenzaldehyde
SMILESCC(=O)c1cc(F)c(O)c(C=O)c1
InChIInChI=1S/C9H7FO3/c1-5(12)6-2-7(4-11)9(13)8(10)3-6/h2-4,13H,1H3
InChIKeyNVBXXYISXLHBNK-UHFFFAOYSA-N
MW182.15 g/mol
LogP1.55
Rot. Bonds2

About 5-acetyl-3-fluoro-2-hydroxybenzaldehyde

5-acetyl-3-fluoro-2-hydroxybenzaldehyde (PubChem CID 170687896) has the molecular formula C9H7FO3 and a molecular weight of 182.15 g/mol. Its IUPAC name is 5-acetyl-3-fluoro-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-acetyl-3-fluoro-2-hydroxybenzaldehyde
PubChem CID170687896
Molecular FormulaC9H7FO3
Molecular Weight182.15 g/mol
Exact Mass182.04
IUPAC Name5-acetyl-3-fluoro-2-hydroxybenzaldehyde
SMILESCC(=O)c1cc(F)c(O)c(C=O)c1
InChIInChI=1S/C9H7FO3/c1-5(12)6-2-7(4-11)9(13)8(10)3-6/h2-4,13H,1H3
InChIKeyNVBXXYISXLHBNK-UHFFFAOYSA-N
XLogP1.55
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-acetyl-3-fluoro-2-hydroxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-5-formyl-4-hydroxy-N-phenylbenzamide
CID 155143444
3,5-difluoro-2,4-dihydroxybenzaldehyde
CID 18942327
1-[4-(dimethylamino)-3,5-difluorophenyl]ethanone
CID 83383426
3,5-difluoro-2-hydroxybenzaldehyde;2,4-difluorophenol
CID 159523746
4-acetyl-2-fluoro-6-(trifluoromethyl)benzaldehyde
CID 171008432
5-acetyl-3-chloro-2-methylbenzaldehyde
CID 171003493
5-acetyl-2-iodo-3-methylbenzaldehyde
CID 171015504
methyl 3-(3-fluoro-5-formyl-4-hydroxyphenyl)prop-2-enoate
CID 169479167
methyl 3-formyl-4,5-dihydroxybenzoate
CID 163300874
5-acetyl-3-chloro-2-iodobenzaldehyde
CID 171002056
2,5-diacetylbenzaldehyde
CID 143109306
1-(3,5-difluoro-4-methoxyphenyl)ethanone
CID 2736983

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-fluoro-2-hydroxybenzaldehyde?
The IUPAC name of 5-acetyl-3-fluoro-2-hydroxybenzaldehyde (CID 170687896) is 5-acetyl-3-fluoro-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-acetyl-3-fluoro-2-hydroxybenzaldehyde?
The canonical SMILES for 5-acetyl-3-fluoro-2-hydroxybenzaldehyde is CC(=O)c1cc(F)c(O)c(C=O)c1.
What is the InChIKey of 5-acetyl-3-fluoro-2-hydroxybenzaldehyde?
The InChIKey is NVBXXYISXLHBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO3/c1-5(12)6-2-7(4-11)9(13)8(10)3-6/h2-4,13H,1H3.
What are the key properties of 5-acetyl-3-fluoro-2-hydroxybenzaldehyde?
5-acetyl-3-fluoro-2-hydroxybenzaldehyde has a molecular weight of 182.15 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-fluoro-2-hydroxybenzaldehyde is sourced from PubChem (CID 170687896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).