2-(7-fluoro-8-hydroxyquinolin-5-yl)acetaldehyde

C11H8FNO2 — CID 88572009

IUPAC2-(7-fluoro-8-hydroxyquinolin-5-yl)acetaldehyde
SMILESO=CCc1cc(F)c(O)c2ncccc12
InChIInChI=1S/C11H8FNO2/c12-9-6-7(3-5-14)8-2-1-4-13-10(8)11(9)15/h1-2,4-6,15H,3H2
InChIKeyFSMMMFBYNRLOJT-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.82
Rot. Bonds2

About 2-(7-fluoro-8-hydroxyquinolin-5-yl)acetaldehyde

2-(7-fluoro-8-hydroxyquinolin-5-yl)acetaldehyde (PubChem CID 88572009) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is 2-(7-fluoro-8-hydroxyquinolin-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(7-fluoro-8-hydroxyquinolin-5-yl)acetaldehyde
PubChem CID88572009
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Name2-(7-fluoro-8-hydroxyquinolin-5-yl)acetaldehyde
SMILESO=CCc1cc(F)c(O)c2ncccc12
InChIInChI=1S/C11H8FNO2/c12-9-6-7(3-5-14)8-2-1-4-13-10(8)11(9)15/h1-2,4-6,15H,3H2
InChIKeyFSMMMFBYNRLOJT-UHFFFAOYSA-N
XLogP1.82
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-5-methylquinolin-8-ol
CID 59613713
zinc 5-chloro-7-(18F)fluoroquinolin-8-ol
CID 10378005
2-(8-aminoquinolin-4-yl)acetaldehyde
CID 174157717
5-chloro-6-fluoroquinolin-8-ol
CID 166150236
7-fluoro-5-(4-fluorophenyl)sulfonylquinolin-8-ol
CID 122440001
3-(7-formyl-8-hydroxyquinolin-5-yl)propanoic acid
CID 87406128
5,7-bis[(dibutylamino)methyl]quinolin-8-ol
CID 71405853
2-(4-chloro-8-fluoroquinolin-3-yl)acetaldehyde
CID 87427540
4-(5-chloro-8-hydroxyquinolin-7-yl)but-3-enal
CID 170482968
7-chloro-8-hydroxyquinoline-5-carbaldehyde
CID 102399147
5-chloro-7-[[(2-fluorophenyl)methylamino]methyl]quinolin-8-ol;hydrochloride
CID 138620659
5-chloro-7-(chloromethyl)quinolin-8-ol
CID 4702114

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-8-hydroxyquinolin-5-yl)acetaldehyde?
The IUPAC name of 2-(7-fluoro-8-hydroxyquinolin-5-yl)acetaldehyde (CID 88572009) is 2-(7-fluoro-8-hydroxyquinolin-5-yl)acetaldehyde.
What is the SMILES notation for 2-(7-fluoro-8-hydroxyquinolin-5-yl)acetaldehyde?
The canonical SMILES for 2-(7-fluoro-8-hydroxyquinolin-5-yl)acetaldehyde is O=CCc1cc(F)c(O)c2ncccc12.
What is the InChIKey of 2-(7-fluoro-8-hydroxyquinolin-5-yl)acetaldehyde?
The InChIKey is FSMMMFBYNRLOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2/c12-9-6-7(3-5-14)8-2-1-4-13-10(8)11(9)15/h1-2,4-6,15H,3H2.
What are the key properties of 2-(7-fluoro-8-hydroxyquinolin-5-yl)acetaldehyde?
2-(7-fluoro-8-hydroxyquinolin-5-yl)acetaldehyde has a molecular weight of 205.19 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-8-hydroxyquinolin-5-yl)acetaldehyde is sourced from PubChem (CID 88572009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).