8-chloro-5-fluoroisoquinolin-3-amine

C9H6ClFN2 — CID 53419050

IUPAC8-chloro-5-fluoroisoquinolin-3-amine
SMILESNc1cc2c(F)ccc(Cl)c2cn1
InChIInChI=1S/C9H6ClFN2/c10-7-1-2-8(11)5-3-9(12)13-4-6(5)7/h1-4H,(H2,12,13)
InChIKeyJEQCTTOGVYHWDM-UHFFFAOYSA-N
MW196.61 g/mol
LogP2.61
Rot. Bonds

About 8-chloro-5-fluoroisoquinolin-3-amine

8-chloro-5-fluoroisoquinolin-3-amine (PubChem CID 53419050) has the molecular formula C9H6ClFN2 and a molecular weight of 196.61 g/mol. Its IUPAC name is 8-chloro-5-fluoroisoquinolin-3-amine.

Molecular Properties

Compound Name8-chloro-5-fluoroisoquinolin-3-amine
PubChem CID53419050
Molecular FormulaC9H6ClFN2
Molecular Weight196.61 g/mol
Exact Mass196.02
IUPAC Name8-chloro-5-fluoroisoquinolin-3-amine
SMILESNc1cc2c(F)ccc(Cl)c2cn1
InChIInChI=1S/C9H6ClFN2/c10-7-1-2-8(11)5-3-9(12)13-4-6(5)7/h1-4H,(H2,12,13)
InChIKeyJEQCTTOGVYHWDM-UHFFFAOYSA-N
XLogP2.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.61
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-fluoroisoquinolin-3-amine?
The IUPAC name of 8-chloro-5-fluoroisoquinolin-3-amine (CID 53419050) is 8-chloro-5-fluoroisoquinolin-3-amine.
What is the SMILES notation for 8-chloro-5-fluoroisoquinolin-3-amine?
The canonical SMILES for 8-chloro-5-fluoroisoquinolin-3-amine is Nc1cc2c(F)ccc(Cl)c2cn1.
What is the InChIKey of 8-chloro-5-fluoroisoquinolin-3-amine?
The InChIKey is JEQCTTOGVYHWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2/c10-7-1-2-8(11)5-3-9(12)13-4-6(5)7/h1-4H,(H2,12,13).
What are the key properties of 8-chloro-5-fluoroisoquinolin-3-amine?
8-chloro-5-fluoroisoquinolin-3-amine has a molecular weight of 196.61 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-fluoroisoquinolin-3-amine is sourced from PubChem (CID 53419050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).