4-chloro-5-fluoro-1-methoxyisoquinoline

C10H7ClFNO — CID 84678717

IUPAC4-chloro-5-fluoro-1-methoxyisoquinoline
SMILESCOc1ncc(Cl)c2c(F)cccc12
InChIInChI=1S/C10H7ClFNO/c1-14-10-6-3-2-4-8(12)9(6)7(11)5-13-10/h2-5H,1H3
InChIKeyCDFNGGJVUMFHIN-UHFFFAOYSA-N
MW211.62 g/mol
LogP3.04
Rot. Bonds1

About 4-chloro-5-fluoro-1-methoxyisoquinoline

4-chloro-5-fluoro-1-methoxyisoquinoline (PubChem CID 84678717) has the molecular formula C10H7ClFNO and a molecular weight of 211.62 g/mol. Its IUPAC name is 4-chloro-5-fluoro-1-methoxyisoquinoline.

Molecular Properties

Compound Name4-chloro-5-fluoro-1-methoxyisoquinoline
PubChem CID84678717
Molecular FormulaC10H7ClFNO
Molecular Weight211.62 g/mol
Exact Mass211.02
IUPAC Name4-chloro-5-fluoro-1-methoxyisoquinoline
SMILESCOc1ncc(Cl)c2c(F)cccc12
InChIInChI=1S/C10H7ClFNO/c1-14-10-6-3-2-4-8(12)9(6)7(11)5-13-10/h2-5H,1H3
InChIKeyCDFNGGJVUMFHIN-UHFFFAOYSA-N
XLogP3.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.62
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-1-methoxyisoquinoline?
The IUPAC name of 4-chloro-5-fluoro-1-methoxyisoquinoline (CID 84678717) is 4-chloro-5-fluoro-1-methoxyisoquinoline.
What is the SMILES notation for 4-chloro-5-fluoro-1-methoxyisoquinoline?
The canonical SMILES for 4-chloro-5-fluoro-1-methoxyisoquinoline is COc1ncc(Cl)c2c(F)cccc12.
What is the InChIKey of 4-chloro-5-fluoro-1-methoxyisoquinoline?
The InChIKey is CDFNGGJVUMFHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO/c1-14-10-6-3-2-4-8(12)9(6)7(11)5-13-10/h2-5H,1H3.
What are the key properties of 4-chloro-5-fluoro-1-methoxyisoquinoline?
4-chloro-5-fluoro-1-methoxyisoquinoline has a molecular weight of 211.62 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-1-methoxyisoquinoline is sourced from PubChem (CID 84678717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).