6,7-difluoroisoquinoline

C9H5F2N — CID 58380875

IUPAC6,7-difluoroisoquinoline
SMILESFc1cc2ccncc2cc1F
InChIInChI=1S/C9H5F2N/c10-8-3-6-1-2-12-5-7(6)4-9(8)11/h1-5H
InChIKeyIZGNVOVLUDJCIM-UHFFFAOYSA-N
MW165.14 g/mol
LogP2.51
Rot. Bonds

About 6,7-difluoroisoquinoline

6,7-difluoroisoquinoline (PubChem CID 58380875) has the molecular formula C9H5F2N and a molecular weight of 165.14 g/mol. Its IUPAC name is 6,7-difluoroisoquinoline.

Molecular Properties

Compound Name6,7-difluoroisoquinoline
PubChem CID58380875
Molecular FormulaC9H5F2N
Molecular Weight165.14 g/mol
Exact Mass165.04
IUPAC Name6,7-difluoroisoquinoline
SMILESFc1cc2ccncc2cc1F
InChIInChI=1S/C9H5F2N/c10-8-3-6-1-2-12-5-7(6)4-9(8)11/h1-5H
InChIKeyIZGNVOVLUDJCIM-UHFFFAOYSA-N
XLogP2.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoroisoquinoline?
The IUPAC name of 6,7-difluoroisoquinoline (CID 58380875) is 6,7-difluoroisoquinoline.
What is the SMILES notation for 6,7-difluoroisoquinoline?
The canonical SMILES for 6,7-difluoroisoquinoline is Fc1cc2ccncc2cc1F.
What is the InChIKey of 6,7-difluoroisoquinoline?
The InChIKey is IZGNVOVLUDJCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2N/c10-8-3-6-1-2-12-5-7(6)4-9(8)11/h1-5H.
What are the key properties of 6,7-difluoroisoquinoline?
6,7-difluoroisoquinoline has a molecular weight of 165.14 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoroisoquinoline is sourced from PubChem (CID 58380875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).