CID 158897445

C9H8N2Si — CID 158897445

IUPAC—
SMILESNc1ccc2ccccc2n1.[Si]
InChIInChI=1S/C9H8N2.Si/c10-9-6-5-7-3-1-2-4-8(7)11-9;/h1-6H,(H2,10,11);
InChIKeyJEZWDZPOLXFGFO-UHFFFAOYSA-N
MW172.26 g/mol
LogP1.44
Rot. Bonds

About CID 158897445

CID 158897445 (PubChem CID 158897445) has the molecular formula C9H8N2Si and a molecular weight of 172.26 g/mol.

Molecular Properties

Compound NameCID 158897445
PubChem CID158897445
Molecular FormulaC9H8N2Si
Molecular Weight172.26 g/mol
Exact Mass172.05
IUPAC Name—
SMILESNc1ccc2ccccc2n1.[Si]
InChIInChI=1S/C9H8N2.Si/c10-9-6-5-7-3-1-2-4-8(7)11-9;/h1-6H,(H2,10,11);
InChIKeyJEZWDZPOLXFGFO-UHFFFAOYSA-N
XLogP1.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-quinolin-2-ylpyridin-2-amine
CID 82556017
acridine;acridine-3,6-diamine
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2-fluoroquinoline;methane
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silver quinolin-2-olate
CID 162166701

Frequently Asked Questions

What is the IUPAC name of CID 158897445?
The IUPAC name of CID 158897445 (CID 158897445) is not available.
What is the SMILES notation for CID 158897445?
The canonical SMILES for CID 158897445 is Nc1ccc2ccccc2n1.[Si].
What is the InChIKey of CID 158897445?
The InChIKey is JEZWDZPOLXFGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.Si/c10-9-6-5-7-3-1-2-4-8(7)11-9;/h1-6H,(H2,10,11);.
What are the key properties of CID 158897445?
CID 158897445 has a molecular weight of 172.26 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158897445 is sourced from PubChem (CID 158897445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).