(3-chloroisoquinolin-4-yl)methanol

C10H8ClNO — CID 86690749

IUPAC(3-chloroisoquinolin-4-yl)methanol
SMILESOCc1c(Cl)ncc2ccccc12
InChIInChI=1S/C10H8ClNO/c11-10-9(6-13)8-4-2-1-3-7(8)5-12-10/h1-5,13H,6H2
InChIKeyFHNIWSJPXPJTRN-UHFFFAOYSA-N
MW193.63 g/mol
LogP2.38
Rot. Bonds1

About (3-chloroisoquinolin-4-yl)methanol

(3-chloroisoquinolin-4-yl)methanol (PubChem CID 86690749) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is (3-chloroisoquinolin-4-yl)methanol.

Molecular Properties

Compound Name(3-chloroisoquinolin-4-yl)methanol
PubChem CID86690749
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name(3-chloroisoquinolin-4-yl)methanol
SMILESOCc1c(Cl)ncc2ccccc12
InChIInChI=1S/C10H8ClNO/c11-10-9(6-13)8-4-2-1-3-7(8)5-12-10/h1-5,13H,6H2
InChIKeyFHNIWSJPXPJTRN-UHFFFAOYSA-N
XLogP2.38
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3-chloroisoquinolin-4-yl)methanol?
The IUPAC name of (3-chloroisoquinolin-4-yl)methanol (CID 86690749) is (3-chloroisoquinolin-4-yl)methanol.
What is the SMILES notation for (3-chloroisoquinolin-4-yl)methanol?
The canonical SMILES for (3-chloroisoquinolin-4-yl)methanol is OCc1c(Cl)ncc2ccccc12.
What is the InChIKey of (3-chloroisoquinolin-4-yl)methanol?
The InChIKey is FHNIWSJPXPJTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c11-10-9(6-13)8-4-2-1-3-7(8)5-12-10/h1-5,13H,6H2.
What are the key properties of (3-chloroisoquinolin-4-yl)methanol?
(3-chloroisoquinolin-4-yl)methanol has a molecular weight of 193.63 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloroisoquinolin-4-yl)methanol is sourced from PubChem (CID 86690749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).