(8-chloroisoquinolin-5-yl)methanamine

C10H9ClN2 — CID 82573574

IUPAC(8-chloroisoquinolin-5-yl)methanamine
SMILESNCc1ccc(Cl)c2cnccc12
InChIInChI=1S/C10H9ClN2/c11-10-2-1-7(5-12)8-3-4-13-6-9(8)10/h1-4,6H,5,12H2
InChIKeyPREAOLOGAOGHAL-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.35
Rot. Bonds1

About (8-chloroisoquinolin-5-yl)methanamine

(8-chloroisoquinolin-5-yl)methanamine (PubChem CID 82573574) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is (8-chloroisoquinolin-5-yl)methanamine.

Molecular Properties

Compound Name(8-chloroisoquinolin-5-yl)methanamine
PubChem CID82573574
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name(8-chloroisoquinolin-5-yl)methanamine
SMILESNCc1ccc(Cl)c2cnccc12
InChIInChI=1S/C10H9ClN2/c11-10-2-1-7(5-12)8-3-4-13-6-9(8)10/h1-4,6H,5,12H2
InChIKeyPREAOLOGAOGHAL-UHFFFAOYSA-N
XLogP2.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(8-chloroisoquinolin-5-yl)propanamide
CID 82578302
8-chloroisoquinolin-5-amine
CID 53421157
8-chloro-5-fluoroisoquinoline
CID 124707448
(6-chloroisoquinolin-5-yl)methanamine
CID 82573572
isoquinolin-8-ylmethanamine;dihydrochloride
CID 42614394
1-(8-chloroisoquinolin-5-yl)ethanamine
CID 82575686
(8-chloro-1-methylisoquinolin-5-yl)methanamine
CID 115024955
8-chloroisoquinoline-5-sulfonyl chloride
CID 71314751
7-chloro-8-iodoisoquinoline
CID 142740347
[3-(aminomethyl)-4-pyridinyl]methanamine;dihydrochloride
CID 66524168
8-chloro-5-nitroisoquinoline
CID 53420876
(2-chloro-5-pyridin-4-ylphenyl)methanamine
CID 67257195

Frequently Asked Questions

What is the IUPAC name of (8-chloroisoquinolin-5-yl)methanamine?
The IUPAC name of (8-chloroisoquinolin-5-yl)methanamine (CID 82573574) is (8-chloroisoquinolin-5-yl)methanamine.
What is the SMILES notation for (8-chloroisoquinolin-5-yl)methanamine?
The canonical SMILES for (8-chloroisoquinolin-5-yl)methanamine is NCc1ccc(Cl)c2cnccc12.
What is the InChIKey of (8-chloroisoquinolin-5-yl)methanamine?
The InChIKey is PREAOLOGAOGHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c11-10-2-1-7(5-12)8-3-4-13-6-9(8)10/h1-4,6H,5,12H2.
What are the key properties of (8-chloroisoquinolin-5-yl)methanamine?
(8-chloroisoquinolin-5-yl)methanamine has a molecular weight of 192.65 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloroisoquinolin-5-yl)methanamine is sourced from PubChem (CID 82573574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).