3-fluoro-4-isoquinolin-4-ylbenzaldehyde

C16H10FNO — CID 81447213

IUPAC3-fluoro-4-isoquinolin-4-ylbenzaldehyde
SMILESO=Cc1ccc(-c2cncc3ccccc23)c(F)c1
InChIInChI=1S/C16H10FNO/c17-16-7-11(10-19)5-6-14(16)15-9-18-8-12-3-1-2-4-13(12)15/h1-10H
InChIKeyUXGJDZGFYOTIEI-UHFFFAOYSA-N
MW251.26 g/mol
LogP3.85
Rot. Bonds2

About 3-fluoro-4-isoquinolin-4-ylbenzaldehyde

3-fluoro-4-isoquinolin-4-ylbenzaldehyde (PubChem CID 81447213) has the molecular formula C16H10FNO and a molecular weight of 251.26 g/mol. Its IUPAC name is 3-fluoro-4-isoquinolin-4-ylbenzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-isoquinolin-4-ylbenzaldehyde
PubChem CID81447213
Molecular FormulaC16H10FNO
Molecular Weight251.26 g/mol
Exact Mass251.07
IUPAC Name3-fluoro-4-isoquinolin-4-ylbenzaldehyde
SMILESO=Cc1ccc(-c2cncc3ccccc23)c(F)c1
InChIInChI=1S/C16H10FNO/c17-16-7-11(10-19)5-6-14(16)15-9-18-8-12-3-1-2-4-13(12)15/h1-10H
InChIKeyUXGJDZGFYOTIEI-UHFFFAOYSA-N
XLogP3.85
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Isoquinolinium-2-yl-1-phenylethan-1-one bromide
CID 2794851
1-Isoquinolinyl phenyl ketone
CID 280081
2-(25-Isoquinolin-2-yl)-1-(3-phenanthryl)ethanone
CID 411668
1(2H)-Naphthalenone, 3,4-dihydro-2-(3-pyridylmethylene)-
CID 1550302
Isoquinoline-1-carbaldehyde
CID 265306
2-(4-Pyridinyl)benzaldehyde
CID 642850
2-(Pyridin-3-Yl)Benzaldehyde
CID 3857593
2-(2-Oxo-2-phenylethyl)isoquinolinium
CID 52611
2-(2-Oxo-2-(p-tolyl)ethyl)isoquinolin-2-ium bromide
CID 2847730
2-(3-pyridinylmethylene)-3,4-dihydro-1(2H)-naphthalenone
CID 1550300
1-(Naphthalen-2-yl)-3-(pyridin-3-yl)prop-2-en-1-one
CID 14434140
(E)-1-naphthalen-2-yl-3-pyridin-4-ylprop-2-en-1-one
CID 15252040

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-isoquinolin-4-ylbenzaldehyde?
The IUPAC name of 3-fluoro-4-isoquinolin-4-ylbenzaldehyde (CID 81447213) is 3-fluoro-4-isoquinolin-4-ylbenzaldehyde.
What is the SMILES notation for 3-fluoro-4-isoquinolin-4-ylbenzaldehyde?
The canonical SMILES for 3-fluoro-4-isoquinolin-4-ylbenzaldehyde is O=Cc1ccc(-c2cncc3ccccc23)c(F)c1.
What is the InChIKey of 3-fluoro-4-isoquinolin-4-ylbenzaldehyde?
The InChIKey is UXGJDZGFYOTIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO/c17-16-7-11(10-19)5-6-14(16)15-9-18-8-12-3-1-2-4-13(12)15/h1-10H.
What are the key properties of 3-fluoro-4-isoquinolin-4-ylbenzaldehyde?
3-fluoro-4-isoquinolin-4-ylbenzaldehyde has a molecular weight of 251.26 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-isoquinolin-4-ylbenzaldehyde is sourced from PubChem (CID 81447213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).