(7-hydroxyisoquinolin-6-yl)boronic acid

C9H8BNO3 — CID 162391465

IUPAC(7-hydroxyisoquinolin-6-yl)boronic acid
SMILESOB(O)c1cc2ccncc2cc1O
InChIInChI=1S/C9H8BNO3/c12-9-4-7-5-11-2-1-6(7)3-8(9)10(13)14/h1-5,12-14H
InChIKeyQYOQOBWVCWZPGT-UHFFFAOYSA-N
MW188.98 g/mol
LogP-0.38
Rot. Bonds1

About (7-hydroxyisoquinolin-6-yl)boronic acid

(7-hydroxyisoquinolin-6-yl)boronic acid (PubChem CID 162391465) has the molecular formula C9H8BNO3 and a molecular weight of 188.98 g/mol. Its IUPAC name is (7-hydroxyisoquinolin-6-yl)boronic acid.

Molecular Properties

Compound Name(7-hydroxyisoquinolin-6-yl)boronic acid
PubChem CID162391465
Molecular FormulaC9H8BNO3
Molecular Weight188.98 g/mol
Exact Mass189.06
IUPAC Name(7-hydroxyisoquinolin-6-yl)boronic acid
SMILESOB(O)c1cc2ccncc2cc1O
InChIInChI=1S/C9H8BNO3/c12-9-4-7-5-11-2-1-6(7)3-8(9)10(13)14/h1-5,12-14H
InChIKeyQYOQOBWVCWZPGT-UHFFFAOYSA-N
XLogP-0.38
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.98
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

7-methoxyisoquinolin-6-ol;hydrochloride
CID 135539724
9-azaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32-heptadecaene
CID 91751532
isoquinolin-5-ylboronic acid
CID 599474
6H-cyclopropa[g]isoquinoline
CID 142805400
(3-methyl-4-pyridinyl)boronic acid
CID 44754762
isoquinolin-6-yl methyl carbonate
CID 22364569
9-methylbenzo[g]isoquinoline
CID 167164777
7-fluoro-6-methylisoquinoline
CID 21300598
2-isoquinolin-7-ylphenol
CID 68897209
isoquinoline-7-carboxylic acid
CID 18468721
2-fluoro-1,7-naphthyridin-3-ol
CID 140638442
1-isoquinolin-7-yloxypropan-2-one
CID 82580297

Frequently Asked Questions

What is the IUPAC name of (7-hydroxyisoquinolin-6-yl)boronic acid?
The IUPAC name of (7-hydroxyisoquinolin-6-yl)boronic acid (CID 162391465) is (7-hydroxyisoquinolin-6-yl)boronic acid.
What is the SMILES notation for (7-hydroxyisoquinolin-6-yl)boronic acid?
The canonical SMILES for (7-hydroxyisoquinolin-6-yl)boronic acid is OB(O)c1cc2ccncc2cc1O.
What is the InChIKey of (7-hydroxyisoquinolin-6-yl)boronic acid?
The InChIKey is QYOQOBWVCWZPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BNO3/c12-9-4-7-5-11-2-1-6(7)3-8(9)10(13)14/h1-5,12-14H.
What are the key properties of (7-hydroxyisoquinolin-6-yl)boronic acid?
(7-hydroxyisoquinolin-6-yl)boronic acid has a molecular weight of 188.98 g/mol, XLogP of -0.38, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxyisoquinolin-6-yl)boronic acid is sourced from PubChem (CID 162391465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).