CID 153495992

C11H11F3NSi — CID 153495992

IUPAC—
SMILESC[Si](C)CC#Cc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3NSi/c1-16(2)7-3-4-9-5-6-15-10(8-9)11(12,13)14/h5-6,8H,7H2,1-2H3
InChIKeyUQGKWNGXFJCIKC-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.21
Rot. Bonds1

About CID 153495992

CID 153495992 (PubChem CID 153495992) has the molecular formula C11H11F3NSi and a molecular weight of 242.30 g/mol.

Molecular Properties

Compound NameCID 153495992
PubChem CID153495992
Molecular FormulaC11H11F3NSi
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name—
SMILESC[Si](C)CC#Cc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3NSi/c1-16(2)7-3-4-9-5-6-15-10(8-9)11(12,13)14/h5-6,8H,7H2,1-2H3
InChIKeyUQGKWNGXFJCIKC-UHFFFAOYSA-N
XLogP3.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 153495992 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Ethyl-2-methylpyridine
CID 7728
2,4-Dimethylpyridine
CID 7936
3-Ethylpyridine
CID 10823
2,3-Lutidine
CID 11420
3-Ethyl-4-methylpyridine
CID 68254
2-Methyl-5-vinylpyridine
CID 8817
3-Propylpyridine
CID 78405
2,5-Dimethylpyridine
CID 11526
2-Ethyl-5-methylpyridine
CID 519519
4-Propylpyridine
CID 70738
5-Hexyl-2-methyl pyridine
CID 522401
2-Cyclohex-1-enylethynyl-pyridine
CID 12811063

Frequently Asked Questions

What is the IUPAC name of CID 153495992?
The IUPAC name of CID 153495992 (CID 153495992) is not available.
What is the SMILES notation for CID 153495992?
The canonical SMILES for CID 153495992 is C[Si](C)CC#Cc1ccnc(C(F)(F)F)c1.
What is the InChIKey of CID 153495992?
The InChIKey is UQGKWNGXFJCIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3NSi/c1-16(2)7-3-4-9-5-6-15-10(8-9)11(12,13)14/h5-6,8H,7H2,1-2H3.
What are the key properties of CID 153495992?
CID 153495992 has a molecular weight of 242.30 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153495992 is sourced from PubChem (CID 153495992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).