1-(7-chloroisoquinolin-5-yl)ethanol

C11H10ClNO — CID 82575893

IUPAC1-(7-chloroisoquinolin-5-yl)ethanol
SMILESCC(O)c1cc(Cl)cc2cnccc12
InChIInChI=1S/C11H10ClNO/c1-7(14)11-5-9(12)4-8-6-13-3-2-10(8)11/h2-7,14H,1H3
InChIKeySYRPZXSDORCRMA-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.94
Rot. Bonds1

About 1-(7-chloroisoquinolin-5-yl)ethanol

1-(7-chloroisoquinolin-5-yl)ethanol (PubChem CID 82575893) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 1-(7-chloroisoquinolin-5-yl)ethanol.

Molecular Properties

Compound Name1-(7-chloroisoquinolin-5-yl)ethanol
PubChem CID82575893
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name1-(7-chloroisoquinolin-5-yl)ethanol
SMILESCC(O)c1cc(Cl)cc2cnccc12
InChIInChI=1S/C11H10ClNO/c1-7(14)11-5-9(12)4-8-6-13-3-2-10(8)11/h2-7,14H,1H3
InChIKeySYRPZXSDORCRMA-UHFFFAOYSA-N
XLogP2.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloroisoquinolin-5-yl)ethanol?
The IUPAC name of 1-(7-chloroisoquinolin-5-yl)ethanol (CID 82575893) is 1-(7-chloroisoquinolin-5-yl)ethanol.
What is the SMILES notation for 1-(7-chloroisoquinolin-5-yl)ethanol?
The canonical SMILES for 1-(7-chloroisoquinolin-5-yl)ethanol is CC(O)c1cc(Cl)cc2cnccc12.
What is the InChIKey of 1-(7-chloroisoquinolin-5-yl)ethanol?
The InChIKey is SYRPZXSDORCRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c1-7(14)11-5-9(12)4-8-6-13-3-2-10(8)11/h2-7,14H,1H3.
What are the key properties of 1-(7-chloroisoquinolin-5-yl)ethanol?
1-(7-chloroisoquinolin-5-yl)ethanol has a molecular weight of 207.66 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloroisoquinolin-5-yl)ethanol is sourced from PubChem (CID 82575893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).