5-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde

C10H8FNO — CID 174424835

IUPAC5-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde
SMILESO=CC1NC=Cc2c(F)cccc21
InChIInChI=1S/C10H8FNO/c11-9-3-1-2-8-7(9)4-5-12-10(8)6-13/h1-6,10,12H
InChIKeyJPVYSSCXKRVMNG-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.64
Rot. Bonds1

About 5-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde

5-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde (PubChem CID 174424835) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 5-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde
PubChem CID174424835
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name5-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde
SMILESO=CC1NC=Cc2c(F)cccc21
InChIInChI=1S/C10H8FNO/c11-9-3-1-2-8-7(9)4-5-12-10(8)6-13/h1-6,10,12H
InChIKeyJPVYSSCXKRVMNG-UHFFFAOYSA-N
XLogP1.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-1,2-dihydroisoquinoline-1-carbaldehyde?
The IUPAC name of 5-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde (CID 174424835) is 5-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde.
What is the SMILES notation for 5-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde?
The canonical SMILES for 5-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde is O=CC1NC=Cc2c(F)cccc21.
What is the InChIKey of 5-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde?
The InChIKey is JPVYSSCXKRVMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c11-9-3-1-2-8-7(9)4-5-12-10(8)6-13/h1-6,10,12H.
What are the key properties of 5-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde?
5-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde has a molecular weight of 177.18 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde is sourced from PubChem (CID 174424835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).