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

C19H19BN4O2 — CID 140798356

IUPAC6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile
SMILESCC1(C)OB(c2ccc3cnn(-c4cccc(C#N)n4)c3c2)OC1(C)C
InChIInChI=1S/C19H19BN4O2/c1-18(2)19(3,4)26-20(25-18)14-9-8-13-12-22-24(16(13)10-14)17-7-5-6-15(11-21)23-17/h5-10,12H,1-4H3
InChIKeyIWLGWZGSZYIQQS-UHFFFAOYSA-N
MW346.20 g/mol
LogP2.59
Rot. Bonds2

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

6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile (PubChem CID 140798356) has the molecular formula C19H19BN4O2 and a molecular weight of 346.20 g/mol. Its IUPAC name is 6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile
PubChem CID140798356
Molecular FormulaC19H19BN4O2
Molecular Weight346.20 g/mol
Exact Mass346.16
IUPAC Name6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile
SMILESCC1(C)OB(c2ccc3cnn(-c4cccc(C#N)n4)c3c2)OC1(C)C
InChIInChI=1S/C19H19BN4O2/c1-18(2)19(3,4)26-20(25-18)14-9-8-13-12-22-24(16(13)10-14)17-7-5-6-15(11-21)23-17/h5-10,12H,1-4H3
InChIKeyIWLGWZGSZYIQQS-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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Frequently Asked Questions

What is the IUPAC name of 6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile (CID 140798356) is 6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile is CC1(C)OB(c2ccc3cnn(-c4cccc(C#N)n4)c3c2)OC1(C)C.
What is the InChIKey of 6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile?
The InChIKey is IWLGWZGSZYIQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BN4O2/c1-18(2)19(3,4)26-20(25-18)14-9-8-13-12-22-24(16(13)10-14)17-7-5-6-15(11-21)23-17/h5-10,12H,1-4H3.
What are the key properties of 6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile?
6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-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 6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 140798356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).