2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile

C19H19BN4O2 — CID 140798345

IUPAC2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile
SMILESCC1(C)OB(c2ccc3cnn(-c4cc(C#N)ccn4)c3c2)OC1(C)C
InChIInChI=1S/C19H19BN4O2/c1-18(2)19(3,4)26-20(25-18)15-6-5-14-12-23-24(16(14)10-15)17-9-13(11-21)7-8-22-17/h5-10,12H,1-4H3
InChIKeyVYOZJQORLZBSMZ-UHFFFAOYSA-N
MW346.20 g/mol
LogP2.59
Rot. Bonds2

About 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile

2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile (PubChem CID 140798345) has the molecular formula C19H19BN4O2 and a molecular weight of 346.20 g/mol. Its IUPAC name is 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile
PubChem CID140798345
Molecular FormulaC19H19BN4O2
Molecular Weight346.20 g/mol
Exact Mass346.16
IUPAC Name2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile
SMILESCC1(C)OB(c2ccc3cnn(-c4cc(C#N)ccn4)c3c2)OC1(C)C
InChIInChI=1S/C19H19BN4O2/c1-18(2)19(3,4)26-20(25-18)15-6-5-14-12-23-24(16(14)10-15)17-9-13(11-21)7-8-22-17/h5-10,12H,1-4H3
InChIKeyVYOZJQORLZBSMZ-UHFFFAOYSA-N
XLogP2.59
TPSA72.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile
CID 140798454
ethane;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 145002389
1-(3-chloro-6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 140798284
1-[6-(isocyanomethyl)-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 140798292
1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 46830501
2-pyridin-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phthalazin-1-one
CID 166126383
1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone;1-[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159885096
1-pyridin-2-ylindazole-5-carbonitrile
CID 10489088
6-(6-bromopyrazin-2-yl)-1-(6-methyl-2-pyridinyl)indazole;2,6-dibromopyrazine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 160590928
1-(1-methylpiperidin-4-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 171466617
tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane
CID 140798210
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-6-carbonitrile
CID 59373983

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile (CID 140798345) is 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile is CC1(C)OB(c2ccc3cnn(-c4cc(C#N)ccn4)c3c2)OC1(C)C.
What is the InChIKey of 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile?
The InChIKey is VYOZJQORLZBSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BN4O2/c1-18(2)19(3,4)26-20(25-18)15-6-5-14-12-23-24(16(14)10-15)17-9-13(11-21)7-8-22-17/h5-10,12H,1-4H3.
What are the key properties of 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile?
2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile has a molecular weight of 346.20 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 140798345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).