3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrochloride

C14H20BClN2O2 — CID 170911043

IUPAC3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrochloride
SMILESCc1[nH]nc2cc(B3OC(C)(C)C(C)(C)O3)ccc12.Cl
InChIInChI=1S/C14H19BN2O2.ClH/c1-9-11-7-6-10(8-12(11)17-16-9)15-18-13(2,3)14(4,5)19-15;/h6-8H,1-5H3,(H,16,17);1H
InChIKeyOLEQRFZQHNMEMJ-UHFFFAOYSA-N
MW294.59 g/mol
LogP2.59
Rot. Bonds1

About 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrochloride

3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrochloride (PubChem CID 170911043) has the molecular formula C14H20BClN2O2 and a molecular weight of 294.59 g/mol. Its IUPAC name is 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrochloride.

Molecular Properties

Compound Name3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrochloride
PubChem CID170911043
Molecular FormulaC14H20BClN2O2
Molecular Weight294.59 g/mol
Exact Mass294.13
IUPAC Name3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrochloride
SMILESCc1[nH]nc2cc(B3OC(C)(C)C(C)(C)O3)ccc12.Cl
InChIInChI=1S/C14H19BN2O2.ClH/c1-9-11-7-6-10(8-12(11)17-16-9)15-18-13(2,3)14(4,5)19-15;/h6-8H,1-5H3,(H,16,17);1H
InChIKeyOLEQRFZQHNMEMJ-UHFFFAOYSA-N
XLogP2.59
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.59
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole
CID 53425654
4,4,5,5-tetramethyl-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-2-yl]-1,3,2-dioxaborolane
CID 58174852
(3-methyl-2H-indazol-6-yl)methanamine;dihydrochloride
CID 170918567
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole
CID 46738015
2-[3,4-bis(ethenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 153341613
ethane;3-methyl-2H-indazol-6-ol
CID 144952867
ethane;6-fluoro-3-methyl-2H-indazole
CID 145099326
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroquinoxaline
CID 133060729
3-(1H-pyrrol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
CID 135997587
N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine
CID 140867450
N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine
CID 140867452
10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthro[9,10-b]pyrazine
CID 154011907

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrochloride?
The IUPAC name of 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrochloride (CID 170911043) is 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrochloride.
What is the SMILES notation for 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrochloride?
The canonical SMILES for 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrochloride is Cc1[nH]nc2cc(B3OC(C)(C)C(C)(C)O3)ccc12.Cl.
What is the InChIKey of 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrochloride?
The InChIKey is OLEQRFZQHNMEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BN2O2.ClH/c1-9-11-7-6-10(8-12(11)17-16-9)15-18-13(2,3)14(4,5)19-15;/h6-8H,1-5H3,(H,16,17);1H.
What are the key properties of 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrochloride?
3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrochloride has a molecular weight of 294.59 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrochloride is sourced from PubChem (CID 170911043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).