1-chloro-5-methoxyisoquinolin-6-ol

C10H8ClNO2 — CID 136600108

IUPAC1-chloro-5-methoxyisoquinolin-6-ol
SMILESCOc1c(O)ccc2c(Cl)nccc12
InChIInChI=1S/C10H8ClNO2/c1-14-9-6-4-5-12-10(11)7(6)2-3-8(9)13/h2-5,13H,1H3
InChIKeyKERJYNDZYXNKLI-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.60
Rot. Bonds1

About 1-chloro-5-methoxyisoquinolin-6-ol

1-chloro-5-methoxyisoquinolin-6-ol (PubChem CID 136600108) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 1-chloro-5-methoxyisoquinolin-6-ol.

Molecular Properties

Compound Name1-chloro-5-methoxyisoquinolin-6-ol
PubChem CID136600108
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name1-chloro-5-methoxyisoquinolin-6-ol
SMILESCOc1c(O)ccc2c(Cl)nccc12
InChIInChI=1S/C10H8ClNO2/c1-14-9-6-4-5-12-10(11)7(6)2-3-8(9)13/h2-5,13H,1H3
InChIKeyKERJYNDZYXNKLI-UHFFFAOYSA-N
XLogP2.60
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 52.60
H-Bond Donors ≤ 51
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 1-chloro-5-methoxyisoquinolin-6-ol?
The IUPAC name of 1-chloro-5-methoxyisoquinolin-6-ol (CID 136600108) is 1-chloro-5-methoxyisoquinolin-6-ol.
What is the SMILES notation for 1-chloro-5-methoxyisoquinolin-6-ol?
The canonical SMILES for 1-chloro-5-methoxyisoquinolin-6-ol is COc1c(O)ccc2c(Cl)nccc12.
What is the InChIKey of 1-chloro-5-methoxyisoquinolin-6-ol?
The InChIKey is KERJYNDZYXNKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-14-9-6-4-5-12-10(11)7(6)2-3-8(9)13/h2-5,13H,1H3.
What are the key properties of 1-chloro-5-methoxyisoquinolin-6-ol?
1-chloro-5-methoxyisoquinolin-6-ol has a molecular weight of 209.63 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-methoxyisoquinolin-6-ol is sourced from PubChem (CID 136600108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).