4-fluoroisoquinoline

C9H6FN — CID 640973

IUPAC4-fluoroisoquinoline
SMILESFc1cncc2ccccc12
InChIInChI=1S/C9H6FN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H
InChIKeyVFFQGPWQVYUFLV-UHFFFAOYSA-N
MW147.15 g/mol
LogP2.37
Rot. Bonds

About 4-fluoroisoquinoline

4-fluoroisoquinoline (PubChem CID 640973) has the molecular formula C9H6FN and a molecular weight of 147.15 g/mol. Its IUPAC name is 4-fluoroisoquinoline.

Molecular Properties

Compound Name4-fluoroisoquinoline
PubChem CID640973
Molecular FormulaC9H6FN
Molecular Weight147.15 g/mol
Exact Mass147.05
IUPAC Name4-fluoroisoquinoline
SMILESFc1cncc2ccccc12
InChIInChI=1S/C9H6FN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H
InChIKeyVFFQGPWQVYUFLV-UHFFFAOYSA-N
XLogP2.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoroisoquinoline?
The IUPAC name of 4-fluoroisoquinoline (CID 640973) is 4-fluoroisoquinoline.
What is the SMILES notation for 4-fluoroisoquinoline?
The canonical SMILES for 4-fluoroisoquinoline is Fc1cncc2ccccc12.
What is the InChIKey of 4-fluoroisoquinoline?
The InChIKey is VFFQGPWQVYUFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H.
What are the key properties of 4-fluoroisoquinoline?
4-fluoroisoquinoline has a molecular weight of 147.15 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoroisoquinoline is sourced from PubChem (CID 640973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).