3-(hydroxymethyl)isoquinolin-7-ol

C10H9NO2 — CID 133057443

IUPAC3-(hydroxymethyl)isoquinolin-7-ol
SMILESOCc1cc2ccc(O)cc2cn1
InChIInChI=1S/C10H9NO2/c12-6-9-3-7-1-2-10(13)4-8(7)5-11-9/h1-5,12-13H,6H2
InChIKeyQEPULLOPEREFOQ-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.43
Rot. Bonds1

About 3-(hydroxymethyl)isoquinolin-7-ol

3-(hydroxymethyl)isoquinolin-7-ol (PubChem CID 133057443) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-(hydroxymethyl)isoquinolin-7-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)isoquinolin-7-ol
PubChem CID133057443
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name3-(hydroxymethyl)isoquinolin-7-ol
SMILESOCc1cc2ccc(O)cc2cn1
InChIInChI=1S/C10H9NO2/c12-6-9-3-7-1-2-10(13)4-8(7)5-11-9/h1-5,12-13H,6H2
InChIKeyQEPULLOPEREFOQ-UHFFFAOYSA-N
XLogP1.43
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(chloromethyl)isoquinolin-7-ol
CID 133062702
(7-methoxyisoquinolin-3-yl)methanol
CID 133056400
6-(hydroxymethyl)pyridin-3-ol;hydrochloride
CID 18758423
sodium;hydride;naphthalene-2,6-diol
CID 174639769
methyl 7-hydroxyisoquinoline-3-carboxylate
CID 53419788
6-phosphanylnaphthalen-2-ol
CID 69013248
ethyl 1-[(7-hydroxyisoquinolin-3-yl)methyl]piperidine-4-carboxylate
CID 126757467
naphthalen-2-ol
CID 71750931
4-amino-6-(hydroxymethyl)pyridin-3-ol
CID 171035977
methyl 5-hydroxy-3-(hydroxymethyl)isoquinoline-6-carboxylate
CID 20585560
N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide
CID 67975011
N-[1-(7-hydroxyisoquinolin-3-yl)ethenyl]formamide
CID 54211174

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)isoquinolin-7-ol?
The IUPAC name of 3-(hydroxymethyl)isoquinolin-7-ol (CID 133057443) is 3-(hydroxymethyl)isoquinolin-7-ol.
What is the SMILES notation for 3-(hydroxymethyl)isoquinolin-7-ol?
The canonical SMILES for 3-(hydroxymethyl)isoquinolin-7-ol is OCc1cc2ccc(O)cc2cn1.
What is the InChIKey of 3-(hydroxymethyl)isoquinolin-7-ol?
The InChIKey is QEPULLOPEREFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-6-9-3-7-1-2-10(13)4-8(7)5-11-9/h1-5,12-13H,6H2.
What are the key properties of 3-(hydroxymethyl)isoquinolin-7-ol?
3-(hydroxymethyl)isoquinolin-7-ol has a molecular weight of 175.19 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)isoquinolin-7-ol is sourced from PubChem (CID 133057443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).