8-chloroisoquinolin-5-amine

C9H7ClN2 — CID 53421157

IUPAC8-chloroisoquinolin-5-amine
SMILESNc1ccc(Cl)c2cnccc12
InChIInChI=1S/C9H7ClN2/c10-8-1-2-9(11)6-3-4-12-5-7(6)8/h1-5H,11H2
InChIKeyKPTATDQIEWLVTK-UHFFFAOYSA-N
MW178.62 g/mol
LogP2.47
Rot. Bonds

About 8-chloroisoquinolin-5-amine

8-chloroisoquinolin-5-amine (PubChem CID 53421157) has the molecular formula C9H7ClN2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 8-chloroisoquinolin-5-amine.

Molecular Properties

Compound Name8-chloroisoquinolin-5-amine
PubChem CID53421157
Molecular FormulaC9H7ClN2
Molecular Weight178.62 g/mol
Exact Mass178.03
IUPAC Name8-chloroisoquinolin-5-amine
SMILESNc1ccc(Cl)c2cnccc12
InChIInChI=1S/C9H7ClN2/c10-8-1-2-9(11)6-3-4-12-5-7(6)8/h1-5H,11H2
InChIKeyKPTATDQIEWLVTK-UHFFFAOYSA-N
XLogP2.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

isoquinoline-5,8-diamine;hydrochloride
CID 75525603
8-chloro-5-fluoroisoquinoline
CID 124707448
(8-chloroisoquinolin-5-yl)methanamine
CID 82573574
8-(2,4,5-trichlorophenoxy)isoquinolin-5-amine
CID 103139705
8-(4-chlorophenyl)isoquinolin-5-amine
CID 82583230
1-(8-chloroisoquinolin-5-yl)ethanamine
CID 82575686
8-N-(3-bromo-4-chlorophenyl)isoquinoline-5,8-diamine
CID 103138705
8-(2,3-dichlorophenoxy)isoquinolin-5-amine
CID 103139757
8-chloroisoquinolin-4-amine
CID 84718076
8-ethylisoquinolin-5-amine
CID 58807103
8-(2-chloro-4-fluorophenoxy)isoquinolin-5-amine
CID 103139902
8-[(3-chloro-2-pyridinyl)sulfanyl]isoquinolin-5-amine
CID 103141076

Frequently Asked Questions

What is the IUPAC name of 8-chloroisoquinolin-5-amine?
The IUPAC name of 8-chloroisoquinolin-5-amine (CID 53421157) is 8-chloroisoquinolin-5-amine.
What is the SMILES notation for 8-chloroisoquinolin-5-amine?
The canonical SMILES for 8-chloroisoquinolin-5-amine is Nc1ccc(Cl)c2cnccc12.
What is the InChIKey of 8-chloroisoquinolin-5-amine?
The InChIKey is KPTATDQIEWLVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2/c10-8-1-2-9(11)6-3-4-12-5-7(6)8/h1-5H,11H2.
What are the key properties of 8-chloroisoquinolin-5-amine?
8-chloroisoquinolin-5-amine has a molecular weight of 178.62 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloroisoquinolin-5-amine is sourced from PubChem (CID 53421157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).