8-chloro-5-fluoroisoquinoline

C9H5ClFN — CID 124707448

IUPAC8-chloro-5-fluoroisoquinoline
SMILESFc1ccc(Cl)c2cnccc12
InChIInChI=1S/C9H5ClFN/c10-8-1-2-9(11)6-3-4-12-5-7(6)8/h1-5H
InChIKeyWLZQGWHYCXWQRZ-UHFFFAOYSA-N
MW181.60 g/mol
LogP3.03
Rot. Bonds

About 8-chloro-5-fluoroisoquinoline

8-chloro-5-fluoroisoquinoline (PubChem CID 124707448) has the molecular formula C9H5ClFN and a molecular weight of 181.60 g/mol. Its IUPAC name is 8-chloro-5-fluoroisoquinoline.

Molecular Properties

Compound Name8-chloro-5-fluoroisoquinoline
PubChem CID124707448
Molecular FormulaC9H5ClFN
Molecular Weight181.60 g/mol
Exact Mass181.01
IUPAC Name8-chloro-5-fluoroisoquinoline
SMILESFc1ccc(Cl)c2cnccc12
InChIInChI=1S/C9H5ClFN/c10-8-1-2-9(11)6-3-4-12-5-7(6)8/h1-5H
InChIKeyWLZQGWHYCXWQRZ-UHFFFAOYSA-N
XLogP3.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.60
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-chloroisoquinolin-5-amine
CID 53421157
5-fluoro-8-methylisoquinoline
CID 125425947
CID 176668021
CID 176668021
(8-chloroisoquinolin-5-yl)methanamine
CID 82573574
8-chloroisoquinoline-5-sulfonyl chloride
CID 71314751
8-chloro-5-nitroisoquinoline
CID 53420876
1-(8-chloroisoquinolin-5-yl)ethanamine
CID 82575686
8-chloro-5-fluoroisoquinolin-3-amine
CID 53419050
5-(bromomethyl)-8-fluoroisoquinoline;hydrobromide
CID 154728105
4-chloro-1-methyl-2,6-naphthyridine
CID 177329446
1-(8-fluoroisoquinolin-5-yl)ethanone
CID 82576116
3-fluoro-4-(2,4,6-trichlorophenyl)pyridine
CID 133090356

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-fluoroisoquinoline?
The IUPAC name of 8-chloro-5-fluoroisoquinoline (CID 124707448) is 8-chloro-5-fluoroisoquinoline.
What is the SMILES notation for 8-chloro-5-fluoroisoquinoline?
The canonical SMILES for 8-chloro-5-fluoroisoquinoline is Fc1ccc(Cl)c2cnccc12.
What is the InChIKey of 8-chloro-5-fluoroisoquinoline?
The InChIKey is WLZQGWHYCXWQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFN/c10-8-1-2-9(11)6-3-4-12-5-7(6)8/h1-5H.
What are the key properties of 8-chloro-5-fluoroisoquinoline?
8-chloro-5-fluoroisoquinoline has a molecular weight of 181.60 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-fluoroisoquinoline is sourced from PubChem (CID 124707448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).