5-(hydroxymethyl)isoquinolin-8-ol

C10H9NO2 — CID 136965992

IUPAC5-(hydroxymethyl)isoquinolin-8-ol
SMILESOCc1ccc(O)c2cnccc12
InChIInChI=1S/C10H9NO2/c12-6-7-1-2-10(13)9-5-11-4-3-8(7)9/h1-5,12-13H,6H2
InChIKeyJJVGAPUJUJQBSA-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.43
Rot. Bonds1

About 5-(hydroxymethyl)isoquinolin-8-ol

5-(hydroxymethyl)isoquinolin-8-ol (PubChem CID 136965992) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-(hydroxymethyl)isoquinolin-8-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)isoquinolin-8-ol
PubChem CID136965992
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name5-(hydroxymethyl)isoquinolin-8-ol
SMILESOCc1ccc(O)c2cnccc12
InChIInChI=1S/C10H9NO2/c12-6-7-1-2-10(13)9-5-11-4-3-8(7)9/h1-5,12-13H,6H2
InChIKeyJJVGAPUJUJQBSA-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

5-butylisoquinolin-8-ol
CID 137082898
2,6-naphthyridin-4-ylmethanol
CID 84651029
5-nitrosoisoquinolin-8-ol
CID 135798744
isoquinolin-8-ol
CID 135441711
5-(8-bromophthalazin-5-yl)isoquinolin-8-ol
CID 146535420
(4-iodo-3-pyridinyl)methanol
CID 119092620
8-aminoisoquinolin-7-ol;hydrochloride
CID 67670050
(4-bromo-3-pyridinyl)methanol;hydrochloride
CID 71669148
[4-(bromomethyl)-3-pyridinyl]methanol
CID 139484815
3-(8-chloroisoquinolin-5-yl)propanamide
CID 82578302
3-(8-fluoroisoquinolin-5-yl)propanamide
CID 82578299
(8-chloroisoquinolin-5-yl)methanamine
CID 82573574

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)isoquinolin-8-ol?
The IUPAC name of 5-(hydroxymethyl)isoquinolin-8-ol (CID 136965992) is 5-(hydroxymethyl)isoquinolin-8-ol.
What is the SMILES notation for 5-(hydroxymethyl)isoquinolin-8-ol?
The canonical SMILES for 5-(hydroxymethyl)isoquinolin-8-ol is OCc1ccc(O)c2cnccc12.
What is the InChIKey of 5-(hydroxymethyl)isoquinolin-8-ol?
The InChIKey is JJVGAPUJUJQBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-6-7-1-2-10(13)9-5-11-4-3-8(7)9/h1-5,12-13H,6H2.
What are the key properties of 5-(hydroxymethyl)isoquinolin-8-ol?
5-(hydroxymethyl)isoquinolin-8-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 5-(hydroxymethyl)isoquinolin-8-ol is sourced from PubChem (CID 136965992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).