(1-pyridin-3-yloxyisoquinolin-3-yl)methanol

C15H12N2O2 — CID 61256067

IUPAC(1-pyridin-3-yloxyisoquinolin-3-yl)methanol
SMILESOCc1cc2ccccc2c(Oc2cccnc2)n1
InChIInChI=1S/C15H12N2O2/c18-10-12-8-11-4-1-2-6-14(11)15(17-12)19-13-5-3-7-16-9-13/h1-9,18H,10H2
InChIKeyHPENVPSWYBXUOD-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.91
Rot. Bonds3

About (1-pyridin-3-yloxyisoquinolin-3-yl)methanol

(1-pyridin-3-yloxyisoquinolin-3-yl)methanol (PubChem CID 61256067) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is (1-pyridin-3-yloxyisoquinolin-3-yl)methanol.

Molecular Properties

Compound Name(1-pyridin-3-yloxyisoquinolin-3-yl)methanol
PubChem CID61256067
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name(1-pyridin-3-yloxyisoquinolin-3-yl)methanol
SMILESOCc1cc2ccccc2c(Oc2cccnc2)n1
InChIInChI=1S/C15H12N2O2/c18-10-12-8-11-4-1-2-6-14(11)15(17-12)19-13-5-3-7-16-9-13/h1-9,18H,10H2
InChIKeyHPENVPSWYBXUOD-UHFFFAOYSA-N
XLogP2.91
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3,5-dimethylphenoxy)isoquinolin-3-yl]methanol
CID 61255876
[1-(3,5-dichlorophenoxy)isoquinolin-3-yl]methanol
CID 61256323
[1-(3-fluoro-4-methylphenoxy)isoquinolin-3-yl]methanol
CID 107170110
(4-pyridin-3-yloxy-2-pyridinyl)methanol
CID 61255855
3-[3-(hydroxymethyl)isoquinolin-1-yl]oxypropan-1-ol
CID 61255721
(1-cyclobutyloxyisoquinolin-3-yl)methanol
CID 62141040
[1-(4-bromo-2-chlorophenoxy)isoquinolin-3-yl]methanol
CID 61255890
[1-[2-(dimethylamino)ethoxy]isoquinolin-3-yl]methanol
CID 61254873
[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]isoquinolin-3-yl]methanol
CID 115942389
[1-(3,5-dimethylcyclohexyl)oxyisoquinolin-3-yl]methanol
CID 64728619
2-pyridin-3-yl-4-pyridin-3-yloxyquinazoline
CID 4793706
2,3-dipyridin-3-yloxypyrazine
CID 139072759

Frequently Asked Questions

What is the IUPAC name of (1-pyridin-3-yloxyisoquinolin-3-yl)methanol?
The IUPAC name of (1-pyridin-3-yloxyisoquinolin-3-yl)methanol (CID 61256067) is (1-pyridin-3-yloxyisoquinolin-3-yl)methanol.
What is the SMILES notation for (1-pyridin-3-yloxyisoquinolin-3-yl)methanol?
The canonical SMILES for (1-pyridin-3-yloxyisoquinolin-3-yl)methanol is OCc1cc2ccccc2c(Oc2cccnc2)n1.
What is the InChIKey of (1-pyridin-3-yloxyisoquinolin-3-yl)methanol?
The InChIKey is HPENVPSWYBXUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-10-12-8-11-4-1-2-6-14(11)15(17-12)19-13-5-3-7-16-9-13/h1-9,18H,10H2.
What are the key properties of (1-pyridin-3-yloxyisoquinolin-3-yl)methanol?
(1-pyridin-3-yloxyisoquinolin-3-yl)methanol has a molecular weight of 252.27 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyridin-3-yloxyisoquinolin-3-yl)methanol is sourced from PubChem (CID 61256067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).