5-chloro-6-fluoro-1-methoxyisoquinoline

C10H7ClFNO — CID 58380844

IUPAC5-chloro-6-fluoro-1-methoxyisoquinoline
SMILESCOc1nccc2c(Cl)c(F)ccc12
InChIInChI=1S/C10H7ClFNO/c1-14-10-7-2-3-8(12)9(11)6(7)4-5-13-10/h2-5H,1H3
InChIKeyNAJSCQCKCNDNIG-UHFFFAOYSA-N
MW211.62 g/mol
LogP3.04
Rot. Bonds1

About 5-chloro-6-fluoro-1-methoxyisoquinoline

5-chloro-6-fluoro-1-methoxyisoquinoline (PubChem CID 58380844) has the molecular formula C10H7ClFNO and a molecular weight of 211.62 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-methoxyisoquinoline.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-methoxyisoquinoline
PubChem CID58380844
Molecular FormulaC10H7ClFNO
Molecular Weight211.62 g/mol
Exact Mass211.02
IUPAC Name5-chloro-6-fluoro-1-methoxyisoquinoline
SMILESCOc1nccc2c(Cl)c(F)ccc12
InChIInChI=1S/C10H7ClFNO/c1-14-10-7-2-3-8(12)9(11)6(7)4-5-13-10/h2-5H,1H3
InChIKeyNAJSCQCKCNDNIG-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 5-chloro-6-fluoro-1-methoxyisoquinoline?
The IUPAC name of 5-chloro-6-fluoro-1-methoxyisoquinoline (CID 58380844) is 5-chloro-6-fluoro-1-methoxyisoquinoline.
What is the SMILES notation for 5-chloro-6-fluoro-1-methoxyisoquinoline?
The canonical SMILES for 5-chloro-6-fluoro-1-methoxyisoquinoline is COc1nccc2c(Cl)c(F)ccc12.
What is the InChIKey of 5-chloro-6-fluoro-1-methoxyisoquinoline?
The InChIKey is NAJSCQCKCNDNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO/c1-14-10-7-2-3-8(12)9(11)6(7)4-5-13-10/h2-5H,1H3.
What are the key properties of 5-chloro-6-fluoro-1-methoxyisoquinoline?
5-chloro-6-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 5-chloro-6-fluoro-1-methoxyisoquinoline is sourced from PubChem (CID 58380844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).