5,8-difluoroisoquinolin-3-amine

C9H6F2N2 — CID 53418204

IUPAC5,8-difluoroisoquinolin-3-amine
SMILESNc1cc2c(F)ccc(F)c2cn1
InChIInChI=1S/C9H6F2N2/c10-7-1-2-8(11)6-4-13-9(12)3-5(6)7/h1-4H,(H2,12,13)
InChIKeyLHBCZONQCOXQMQ-UHFFFAOYSA-N
MW180.16 g/mol
LogP2.10
Rot. Bonds

About 5,8-difluoroisoquinolin-3-amine

5,8-difluoroisoquinolin-3-amine (PubChem CID 53418204) has the molecular formula C9H6F2N2 and a molecular weight of 180.16 g/mol. Its IUPAC name is 5,8-difluoroisoquinolin-3-amine.

Molecular Properties

Compound Name5,8-difluoroisoquinolin-3-amine
PubChem CID53418204
Molecular FormulaC9H6F2N2
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name5,8-difluoroisoquinolin-3-amine
SMILESNc1cc2c(F)ccc(F)c2cn1
InChIInChI=1S/C9H6F2N2/c10-7-1-2-8(11)6-4-13-9(12)3-5(6)7/h1-4H,(H2,12,13)
InChIKeyLHBCZONQCOXQMQ-UHFFFAOYSA-N
XLogP2.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-difluoroisoquinolin-3-amine?
The IUPAC name of 5,8-difluoroisoquinolin-3-amine (CID 53418204) is 5,8-difluoroisoquinolin-3-amine.
What is the SMILES notation for 5,8-difluoroisoquinolin-3-amine?
The canonical SMILES for 5,8-difluoroisoquinolin-3-amine is Nc1cc2c(F)ccc(F)c2cn1.
What is the InChIKey of 5,8-difluoroisoquinolin-3-amine?
The InChIKey is LHBCZONQCOXQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2/c10-7-1-2-8(11)6-4-13-9(12)3-5(6)7/h1-4H,(H2,12,13).
What are the key properties of 5,8-difluoroisoquinolin-3-amine?
5,8-difluoroisoquinolin-3-amine has a molecular weight of 180.16 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoroisoquinolin-3-amine is sourced from PubChem (CID 53418204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).