1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carbonitrile

C15H18BN3O2 — CID 140842248

IUPAC1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carbonitrile
SMILESCn1ncc2c(C#N)cc(B3OC(C)(C)C(C)(C)O3)cc21
InChIInChI=1S/C15H18BN3O2/c1-14(2)15(3,4)21-16(20-14)11-6-10(8-17)12-9-18-19(5)13(12)7-11/h6-7,9H,1-5H3
InChIKeyDVRQVCYEDNGGTO-UHFFFAOYSA-N
MW283.14 g/mol
LogP1.74
Rot. Bonds1

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

1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carbonitrile (PubChem CID 140842248) has the molecular formula C15H18BN3O2 and a molecular weight of 283.14 g/mol. Its IUPAC name is 1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carbonitrile
PubChem CID140842248
Molecular FormulaC15H18BN3O2
Molecular Weight283.14 g/mol
Exact Mass283.15
IUPAC Name1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carbonitrile
SMILESCn1ncc2c(C#N)cc(B3OC(C)(C)C(C)(C)O3)cc21
InChIInChI=1S/C15H18BN3O2/c1-14(2)15(3,4)21-16(20-14)11-6-10(8-17)12-9-18-19(5)13(12)7-11/h6-7,9H,1-5H3
InChIKeyDVRQVCYEDNGGTO-UHFFFAOYSA-N
XLogP1.74
TPSA60.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarbonitrile
CID 56973168
6-bromo-1-methylindazole-4-carbonitrile
CID 66692316
2,2-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-1-benzofuran-7-carbonitrile
CID 90338007
3-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
CID 157041443
3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-7-carbonitrile
CID 137346776
2-(propan-2-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile
CID 76847702
2-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzonitrile
CID 171431279
2-(2-methoxyethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile
CID 76847630
N,1-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-amine
CID 77231420
2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CID 58504590
3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile
CID 46739526
1-cyclobutyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-3-carbonitrile
CID 141203569

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carbonitrile?
The IUPAC name of 1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carbonitrile (CID 140842248) is 1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carbonitrile.
What is the SMILES notation for 1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carbonitrile?
The canonical SMILES for 1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carbonitrile is Cn1ncc2c(C#N)cc(B3OC(C)(C)C(C)(C)O3)cc21.
What is the InChIKey of 1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carbonitrile?
The InChIKey is DVRQVCYEDNGGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BN3O2/c1-14(2)15(3,4)21-16(20-14)11-6-10(8-17)12-9-18-19(5)13(12)7-11/h6-7,9H,1-5H3.
What are the key properties of 1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carbonitrile?
1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carbonitrile has a molecular weight of 283.14 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carbonitrile is sourced from PubChem (CID 140842248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).