6-(aminomethyl)-3-chloroisoquinolin-1-amine

C10H10ClN3 — CID 118482425

IUPAC6-(aminomethyl)-3-chloroisoquinolin-1-amine
SMILESNCc1ccc2c(N)nc(Cl)cc2c1
InChIInChI=1S/C10H10ClN3/c11-9-4-7-3-6(5-12)1-2-8(7)10(13)14-9/h1-4H,5,12H2,(H2,13,14)
InChIKeyVDQDHAUWRQOAMR-UHFFFAOYSA-N
MW207.66 g/mol
LogP1.93
Rot. Bonds1

About 6-(aminomethyl)-3-chloroisoquinolin-1-amine

6-(aminomethyl)-3-chloroisoquinolin-1-amine (PubChem CID 118482425) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 6-(aminomethyl)-3-chloroisoquinolin-1-amine.

Molecular Properties

Compound Name6-(aminomethyl)-3-chloroisoquinolin-1-amine
PubChem CID118482425
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name6-(aminomethyl)-3-chloroisoquinolin-1-amine
SMILESNCc1ccc2c(N)nc(Cl)cc2c1
InChIInChI=1S/C10H10ClN3/c11-9-4-7-3-6(5-12)1-2-8(7)10(13)14-9/h1-4H,5,12H2,(H2,13,14)
InChIKeyVDQDHAUWRQOAMR-UHFFFAOYSA-N
XLogP1.93
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-chloroisoquinolin-1-amine?
The IUPAC name of 6-(aminomethyl)-3-chloroisoquinolin-1-amine (CID 118482425) is 6-(aminomethyl)-3-chloroisoquinolin-1-amine.
What is the SMILES notation for 6-(aminomethyl)-3-chloroisoquinolin-1-amine?
The canonical SMILES for 6-(aminomethyl)-3-chloroisoquinolin-1-amine is NCc1ccc2c(N)nc(Cl)cc2c1.
What is the InChIKey of 6-(aminomethyl)-3-chloroisoquinolin-1-amine?
The InChIKey is VDQDHAUWRQOAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c11-9-4-7-3-6(5-12)1-2-8(7)10(13)14-9/h1-4H,5,12H2,(H2,13,14).
What are the key properties of 6-(aminomethyl)-3-chloroisoquinolin-1-amine?
6-(aminomethyl)-3-chloroisoquinolin-1-amine has a molecular weight of 207.66 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3-chloroisoquinolin-1-amine is sourced from PubChem (CID 118482425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).