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

C15H12N2O — CID 3063446

IUPACisoquinolin-1-yl(pyridin-3-yl)methanol
SMILESOC(c1cccnc1)c1nccc2ccccc12
InChIInChI=1S/C15H12N2O/c18-15(12-5-3-8-16-10-12)14-13-6-2-1-4-11(13)7-9-17-14/h1-10,15,18H
InChIKeyKAVAPGHCSHNYMB-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.71
Rot. Bonds2

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

isoquinolin-1-yl(pyridin-3-yl)methanol (PubChem CID 3063446) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is isoquinolin-1-yl(pyridin-3-yl)methanol.

Molecular Properties

Compound Nameisoquinolin-1-yl(pyridin-3-yl)methanol
PubChem CID3063446
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Nameisoquinolin-1-yl(pyridin-3-yl)methanol
SMILESOC(c1cccnc1)c1nccc2ccccc12
InChIInChI=1S/C15H12N2O/c18-15(12-5-3-8-16-10-12)14-13-6-2-1-4-11(13)7-9-17-14/h1-10,15,18H
InChIKeyKAVAPGHCSHNYMB-UHFFFAOYSA-N
XLogP2.71
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of isoquinolin-1-yl(pyridin-3-yl)methanol?
The IUPAC name of isoquinolin-1-yl(pyridin-3-yl)methanol (CID 3063446) is isoquinolin-1-yl(pyridin-3-yl)methanol.
What is the SMILES notation for isoquinolin-1-yl(pyridin-3-yl)methanol?
The canonical SMILES for isoquinolin-1-yl(pyridin-3-yl)methanol is OC(c1cccnc1)c1nccc2ccccc12.
What is the InChIKey of isoquinolin-1-yl(pyridin-3-yl)methanol?
The InChIKey is KAVAPGHCSHNYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c18-15(12-5-3-8-16-10-12)14-13-6-2-1-4-11(13)7-9-17-14/h1-10,15,18H.
What are the key properties of isoquinolin-1-yl(pyridin-3-yl)methanol?
isoquinolin-1-yl(pyridin-3-yl)methanol has a molecular weight of 236.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-1-yl(pyridin-3-yl)methanol is sourced from PubChem (CID 3063446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).