chempirical

4-Fluoroisoquinoline

C9H6FNCAS 394-67-2147.15 g/mol

Open in Covalent MOL file
NF
Aryl halide

Properties

Molecular formula
C9H6FN
Molar mass
147.15 g/mol
Exact mass
147.0484 Da
logP
2.37Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
394-67-2
SMILES
C1=CC=C2C(=C1)C=NC=C2F
InChIKey
VFFQGPWQVYUFLV-UHFFFAOYSA-N
InChI
InChI=1S/C9H6FN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-Fluoroisoquinoline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Fluoronaphthalene321-38-054 % similar 4-Bromoisoquinoline1532-97-452 % similar 4-Isoquinolinamine23687-25-452 % similar 4-Isoquinolineboronic acid192182-56-247 % similar Isoquinoline-4-carbaldehyde22960-16-347 % similar 3-Bromo-1-fluoronaphthalene13772-59-344 % similar 4-Nitroisoquinoline36073-93-543 % similar Isoquinoline-4-carboxylic acid7159-36-643 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Fluorocinnamonitrile24654-48-6 8-Fluoroquinoline394-68-3 6-Fluoroquinoline396-30-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook