2-(4-chlorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine

C19H20BClN2O2 — CID 51029825

IUPAC2-(4-chlorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
SMILESCC1(C)OB(c2ccn3nc(-c4ccc(Cl)cc4)cc3c2)OC1(C)C
InChIInChI=1S/C19H20BClN2O2/c1-18(2)19(3,4)25-20(24-18)14-9-10-23-16(11-14)12-17(22-23)13-5-7-15(21)8-6-13/h5-12H,1-4H3
InChIKeyXVVZILIUNFPZFP-UHFFFAOYSA-N
MW354.65 g/mol
LogP3.95
Rot. Bonds2

About 2-(4-chlorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine

2-(4-chlorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine (PubChem CID 51029825) has the molecular formula C19H20BClN2O2 and a molecular weight of 354.65 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
PubChem CID51029825
Molecular FormulaC19H20BClN2O2
Molecular Weight354.65 g/mol
Exact Mass354.13
IUPAC Name2-(4-chlorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
SMILESCC1(C)OB(c2ccn3nc(-c4ccc(Cl)cc4)cc3c2)OC1(C)C
InChIInChI=1S/C19H20BClN2O2/c1-18(2)19(3,4)25-20(24-18)14-9-10-23-16(11-14)12-17(22-23)13-5-7-15(21)8-6-13/h5-12H,1-4H3
InChIKeyXVVZILIUNFPZFP-UHFFFAOYSA-N
XLogP3.95
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.65
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-(4-chlorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-(4-chlorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine (CID 51029825) is 2-(4-chlorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-(4-chlorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine is CC1(C)OB(c2ccn3nc(-c4ccc(Cl)cc4)cc3c2)OC1(C)C.
What is the InChIKey of 2-(4-chlorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine?
The InChIKey is XVVZILIUNFPZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BClN2O2/c1-18(2)19(3,4)25-20(24-18)14-9-10-23-16(11-14)12-17(22-23)13-5-7-15(21)8-6-13/h5-12H,1-4H3.
What are the key properties of 2-(4-chlorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine?
2-(4-chlorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 354.65 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 51029825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).