(5-methoxy-1H-indazol-6-yl)boronic acid

C8H9BN2O3 — CID 99942155

IUPAC(5-methoxy-1H-indazol-6-yl)boronic acid
SMILESCOc1cc2cn[nH]c2cc1B(O)O
InChIInChI=1S/C8H9BN2O3/c1-14-8-2-5-4-10-11-7(5)3-6(8)9(12)13/h2-4,12-13H,1H3,(H,10,11)
InChIKeyGURZLTUJYQZTAS-UHFFFAOYSA-N
MW191.98 g/mol
LogP-0.75
Rot. Bonds2

About (5-methoxy-1H-indazol-6-yl)boronic acid

(5-methoxy-1H-indazol-6-yl)boronic acid (PubChem CID 99942155) has the molecular formula C8H9BN2O3 and a molecular weight of 191.98 g/mol. Its IUPAC name is (5-methoxy-1H-indazol-6-yl)boronic acid.

Molecular Properties

Compound Name(5-methoxy-1H-indazol-6-yl)boronic acid
PubChem CID99942155
Molecular FormulaC8H9BN2O3
Molecular Weight191.98 g/mol
Exact Mass192.07
IUPAC Name(5-methoxy-1H-indazol-6-yl)boronic acid
SMILESCOc1cc2cn[nH]c2cc1B(O)O
InChIInChI=1S/C8H9BN2O3/c1-14-8-2-5-4-10-11-7(5)3-6(8)9(12)13/h2-4,12-13H,1H3,(H,10,11)
InChIKeyGURZLTUJYQZTAS-UHFFFAOYSA-N
XLogP-0.75
TPSA78.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.98
LogP ≤ 5-0.75
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

methyl 5-methoxy-1H-indazole-6-carboxylate
CID 76846397
(5-ethyl-1H-indazol-6-yl)boronic acid
CID 175075501
methyl 6-methoxy-1H-indazole-5-carboxylate
CID 131750256
(5-methoxy-1H-indol-6-yl)boronic acid
CID 68543723
6-methoxy-N-methyl-1H-indazol-5-amine
CID 153364692
5-methoxy-6-pyridin-4-yl-1H-indazole
CID 166635017
(6-methoxy-1H-indazol-5-yl)methanamine
CID 117109494
tert-butyl-(6-methoxy-1H-indazol-5-yl)carbamic acid
CID 118173158
2,6-dimethoxy-N-(5-methyl-1H-indazol-6-yl)benzamide
CID 154835907
ethane;6-methoxy-1H-indazole
CID 144719676
2-cyclohexylethanol;methyl 6-methoxy-1H-indazole-5-carboxylate
CID 177065402
6-N-(2,4-dibromo-5-methoxyphenyl)-1H-indazole-5,6-diamine
CID 107491236

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1H-indazol-6-yl)boronic acid?
The IUPAC name of (5-methoxy-1H-indazol-6-yl)boronic acid (CID 99942155) is (5-methoxy-1H-indazol-6-yl)boronic acid.
What is the SMILES notation for (5-methoxy-1H-indazol-6-yl)boronic acid?
The canonical SMILES for (5-methoxy-1H-indazol-6-yl)boronic acid is COc1cc2cn[nH]c2cc1B(O)O.
What is the InChIKey of (5-methoxy-1H-indazol-6-yl)boronic acid?
The InChIKey is GURZLTUJYQZTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BN2O3/c1-14-8-2-5-4-10-11-7(5)3-6(8)9(12)13/h2-4,12-13H,1H3,(H,10,11).
What are the key properties of (5-methoxy-1H-indazol-6-yl)boronic acid?
(5-methoxy-1H-indazol-6-yl)boronic acid has a molecular weight of 191.98 g/mol, XLogP of -0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1H-indazol-6-yl)boronic acid is sourced from PubChem (CID 99942155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).