2-[2-(8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl)ethyl]pyridine

C19H16NO4Si- — CID 138973788

IUPAC2-[2-(8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl)ethyl]pyridine
SMILESc1ccc(CC[Si-]23(Oc4ccccc4O2)Oc2ccccc2O3)nc1
InChIInChI=1S/C19H16NO4Si/c1-2-9-17-16(8-1)21-25(22-17,14-12-15-7-5-6-13-20-15)23-18-10-3-4-11-19(18)24-25/h1-11,13H,12,14H2/q-1
InChIKeyLIZIVTWLQYCKMA-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.96
Rot. Bonds3

About 2-[2-(8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl)ethyl]pyridine

2-[2-(8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl)ethyl]pyridine (PubChem CID 138973788) has the molecular formula C19H16NO4Si- and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-[2-(8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-(8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl)ethyl]pyridine
PubChem CID138973788
Molecular FormulaC19H16NO4Si-
Molecular Weight350.43 g/mol
Exact Mass350.09
IUPAC Name2-[2-(8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl)ethyl]pyridine
SMILESc1ccc(CC[Si-]23(Oc4ccccc4O2)Oc2ccccc2O3)nc1
InChIInChI=1S/C19H16NO4Si/c1-2-9-17-16(8-1)21-25(22-17,14-12-15-7-5-6-13-20-15)23-18-10-3-4-11-19(18)24-25/h1-11,13H,12,14H2/q-1
InChIKeyLIZIVTWLQYCKMA-UHFFFAOYSA-N
XLogP3.96
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2-(8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl)ethyl]pyridine?
The IUPAC name of 2-[2-(8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl)ethyl]pyridine (CID 138973788) is 2-[2-(8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl)ethyl]pyridine.
What is the SMILES notation for 2-[2-(8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl)ethyl]pyridine?
The canonical SMILES for 2-[2-(8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl)ethyl]pyridine is c1ccc(CC[Si-]23(Oc4ccccc4O2)Oc2ccccc2O3)nc1.
What is the InChIKey of 2-[2-(8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl)ethyl]pyridine?
The InChIKey is LIZIVTWLQYCKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16NO4Si/c1-2-9-17-16(8-1)21-25(22-17,14-12-15-7-5-6-13-20-15)23-18-10-3-4-11-19(18)24-25/h1-11,13H,12,14H2/q-1.
What are the key properties of 2-[2-(8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl)ethyl]pyridine?
2-[2-(8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl)ethyl]pyridine has a molecular weight of 350.43 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl)ethyl]pyridine is sourced from PubChem (CID 138973788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).