7-fluoro-4,6-dimethoxyisoquinoline

C11H10FNO2 — CID 70978703

IUPAC7-fluoro-4,6-dimethoxyisoquinoline
SMILESCOc1cc2c(OC)cncc2cc1F
InChIInChI=1S/C11H10FNO2/c1-14-10-4-8-7(3-9(10)12)5-13-6-11(8)15-2/h3-6H,1-2H3
InChIKeyADQRHYDNUPYGGK-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.39
Rot. Bonds2

About 7-fluoro-4,6-dimethoxyisoquinoline

7-fluoro-4,6-dimethoxyisoquinoline (PubChem CID 70978703) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 7-fluoro-4,6-dimethoxyisoquinoline.

Molecular Properties

Compound Name7-fluoro-4,6-dimethoxyisoquinoline
PubChem CID70978703
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name7-fluoro-4,6-dimethoxyisoquinoline
SMILESCOc1cc2c(OC)cncc2cc1F
InChIInChI=1S/C11H10FNO2/c1-14-10-4-8-7(3-9(10)12)5-13-6-11(8)15-2/h3-6H,1-2H3
InChIKeyADQRHYDNUPYGGK-UHFFFAOYSA-N
XLogP2.39
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4,6-dimethoxyisoquinoline?
The IUPAC name of 7-fluoro-4,6-dimethoxyisoquinoline (CID 70978703) is 7-fluoro-4,6-dimethoxyisoquinoline.
What is the SMILES notation for 7-fluoro-4,6-dimethoxyisoquinoline?
The canonical SMILES for 7-fluoro-4,6-dimethoxyisoquinoline is COc1cc2c(OC)cncc2cc1F.
What is the InChIKey of 7-fluoro-4,6-dimethoxyisoquinoline?
The InChIKey is ADQRHYDNUPYGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-14-10-4-8-7(3-9(10)12)5-13-6-11(8)15-2/h3-6H,1-2H3.
What are the key properties of 7-fluoro-4,6-dimethoxyisoquinoline?
7-fluoro-4,6-dimethoxyisoquinoline has a molecular weight of 207.20 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4,6-dimethoxyisoquinoline is sourced from PubChem (CID 70978703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).