(3-amino-5-methyl-1H-indazol-7-yl)boronic acid

C8H10BN3O2 — CID 125451375

IUPAC(3-amino-5-methyl-1H-indazol-7-yl)boronic acid
SMILESCc1cc(B(O)O)c2[nH]nc(N)c2c1
InChIInChI=1S/C8H10BN3O2/c1-4-2-5-7(11-12-8(5)10)6(3-4)9(13)14/h2-3,13-14H,1H3,(H3,10,11,12)
InChIKeyANDBIYQUAOCYMN-UHFFFAOYSA-N
MW191.00 g/mol
LogP-0.87
Rot. Bonds1

About (3-amino-5-methyl-1H-indazol-7-yl)boronic acid

(3-amino-5-methyl-1H-indazol-7-yl)boronic acid (PubChem CID 125451375) has the molecular formula C8H10BN3O2 and a molecular weight of 191.00 g/mol. Its IUPAC name is (3-amino-5-methyl-1H-indazol-7-yl)boronic acid.

Molecular Properties

Compound Name(3-amino-5-methyl-1H-indazol-7-yl)boronic acid
PubChem CID125451375
Molecular FormulaC8H10BN3O2
Molecular Weight191.00 g/mol
Exact Mass191.09
IUPAC Name(3-amino-5-methyl-1H-indazol-7-yl)boronic acid
SMILESCc1cc(B(O)O)c2[nH]nc(N)c2c1
InChIInChI=1S/C8H10BN3O2/c1-4-2-5-7(11-12-8(5)10)6(3-4)9(13)14/h2-3,13-14H,1H3,(H3,10,11,12)
InChIKeyANDBIYQUAOCYMN-UHFFFAOYSA-N
XLogP-0.87
TPSA95.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.00
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methyl-1H-indazol-7-yl)boronic acid?
The IUPAC name of (3-amino-5-methyl-1H-indazol-7-yl)boronic acid (CID 125451375) is (3-amino-5-methyl-1H-indazol-7-yl)boronic acid.
What is the SMILES notation for (3-amino-5-methyl-1H-indazol-7-yl)boronic acid?
The canonical SMILES for (3-amino-5-methyl-1H-indazol-7-yl)boronic acid is Cc1cc(B(O)O)c2[nH]nc(N)c2c1.
What is the InChIKey of (3-amino-5-methyl-1H-indazol-7-yl)boronic acid?
The InChIKey is ANDBIYQUAOCYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BN3O2/c1-4-2-5-7(11-12-8(5)10)6(3-4)9(13)14/h2-3,13-14H,1H3,(H3,10,11,12).
What are the key properties of (3-amino-5-methyl-1H-indazol-7-yl)boronic acid?
(3-amino-5-methyl-1H-indazol-7-yl)boronic acid has a molecular weight of 191.00 g/mol, XLogP of -0.87, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methyl-1H-indazol-7-yl)boronic acid is sourced from PubChem (CID 125451375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).