(6-chloroisoquinolin-5-yl)methanamine

C10H9ClN2 — CID 82573572

IUPAC(6-chloroisoquinolin-5-yl)methanamine
SMILESNCc1c(Cl)ccc2cnccc12
InChIInChI=1S/C10H9ClN2/c11-10-2-1-7-6-13-4-3-8(7)9(10)5-12/h1-4,6H,5,12H2
InChIKeyHDWPDBHHKVSVQA-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.35
Rot. Bonds1

About (6-chloroisoquinolin-5-yl)methanamine

(6-chloroisoquinolin-5-yl)methanamine (PubChem CID 82573572) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is (6-chloroisoquinolin-5-yl)methanamine.

Molecular Properties

Compound Name(6-chloroisoquinolin-5-yl)methanamine
PubChem CID82573572
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name(6-chloroisoquinolin-5-yl)methanamine
SMILESNCc1c(Cl)ccc2cnccc12
InChIInChI=1S/C10H9ClN2/c11-10-2-1-7-6-13-4-3-8(7)9(10)5-12/h1-4,6H,5,12H2
InChIKeyHDWPDBHHKVSVQA-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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Frequently Asked Questions

What is the IUPAC name of (6-chloroisoquinolin-5-yl)methanamine?
The IUPAC name of (6-chloroisoquinolin-5-yl)methanamine (CID 82573572) is (6-chloroisoquinolin-5-yl)methanamine.
What is the SMILES notation for (6-chloroisoquinolin-5-yl)methanamine?
The canonical SMILES for (6-chloroisoquinolin-5-yl)methanamine is NCc1c(Cl)ccc2cnccc12.
What is the InChIKey of (6-chloroisoquinolin-5-yl)methanamine?
The InChIKey is HDWPDBHHKVSVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c11-10-2-1-7-6-13-4-3-8(7)9(10)5-12/h1-4,6H,5,12H2.
What are the key properties of (6-chloroisoquinolin-5-yl)methanamine?
(6-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 (6-chloroisoquinolin-5-yl)methanamine is sourced from PubChem (CID 82573572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).