molecular hydrogen;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

C13H19BN2O2 — CID 153385507

IUPACmolecular hydrogen;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
SMILESCC1(C)OB(c2cccc3[nH]ncc23)OC1(C)C.[H][H]
InChIInChI=1S/C13H17BN2O2.H2/c1-12(2)13(3,4)18-14(17-12)10-6-5-7-11-9(10)8-15-16-11;/h5-8H,1-4H3,(H,15,16);1H
InChIKeyFSLZQTSCTFSLJV-UHFFFAOYSA-N
MW246.12 g/mol
LogP2.11
Rot. Bonds1

About molecular hydrogen;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

molecular hydrogen;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (PubChem CID 153385507) has the molecular formula C13H19BN2O2 and a molecular weight of 246.12 g/mol. Its IUPAC name is molecular hydrogen;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole.

Molecular Properties

Compound Namemolecular hydrogen;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
PubChem CID153385507
Molecular FormulaC13H19BN2O2
Molecular Weight246.12 g/mol
Exact Mass246.15
IUPAC Namemolecular hydrogen;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
SMILESCC1(C)OB(c2cccc3[nH]ncc23)OC1(C)C.[H][H]
InChIInChI=1S/C13H17BN2O2.H2/c1-12(2)13(3,4)18-14(17-12)10-6-5-7-11-9(10)8-15-16-11;/h5-8H,1-4H3,(H,15,16);1H
InChIKeyFSLZQTSCTFSLJV-UHFFFAOYSA-N
XLogP2.11
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 52.11
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

1H-Indazol-6-amine
CID 81423
1H-Indazol-5-amine
CID 88012
1H-Indazole
CID 9221
N-(1H-indazol-4-yl)methanesulfonamide
CID 1481965
5-Iodo-1H-indazole
CID 21894739
7-Methyl-1H-indazole
CID 820797
4-Methyl-1H-indazole
CID 820806
4-iodo-1H-indazole
CID 24728219
(5-Methyl-1H-indazol-6-yl)boronic acid
CID 44119483
6-Methyl-1H-indazole
CID 12639191
5-(Aminomethyl)-1H-indazole
CID 12096223
1H-Indazole-5-boronic acid
CID 17750504

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole?
The IUPAC name of molecular hydrogen;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (CID 153385507) is molecular hydrogen;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole.
What is the SMILES notation for molecular hydrogen;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole?
The canonical SMILES for molecular hydrogen;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole is CC1(C)OB(c2cccc3[nH]ncc23)OC1(C)C.[H][H].
What is the InChIKey of molecular hydrogen;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole?
The InChIKey is FSLZQTSCTFSLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BN2O2.H2/c1-12(2)13(3,4)18-14(17-12)10-6-5-7-11-9(10)8-15-16-11;/h5-8H,1-4H3,(H,15,16);1H.
What are the key properties of molecular hydrogen;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole?
molecular hydrogen;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole has a molecular weight of 246.12 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole is sourced from PubChem (CID 153385507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).