3-[2-(difluoromethyl)-4-pyridinyl]prop-2-ynyl-dimethylsilane

C11H13F2NSi — CID 158132249

IUPAC3-[2-(difluoromethyl)-4-pyridinyl]prop-2-ynyl-dimethylsilane
SMILESC[SiH](C)CC#Cc1ccnc(C(F)F)c1
InChIInChI=1S/C11H13F2NSi/c1-15(2)7-3-4-9-5-6-14-10(8-9)11(12)13/h5-6,8,11,15H,7H2,1-2H3
InChIKeyFSXPAWZTVRJPAS-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.86
Rot. Bonds2

About 3-[2-(difluoromethyl)-4-pyridinyl]prop-2-ynyl-dimethylsilane

3-[2-(difluoromethyl)-4-pyridinyl]prop-2-ynyl-dimethylsilane (PubChem CID 158132249) has the molecular formula C11H13F2NSi and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-[2-(difluoromethyl)-4-pyridinyl]prop-2-ynyl-dimethylsilane.

Molecular Properties

Compound Name3-[2-(difluoromethyl)-4-pyridinyl]prop-2-ynyl-dimethylsilane
PubChem CID158132249
Molecular FormulaC11H13F2NSi
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name3-[2-(difluoromethyl)-4-pyridinyl]prop-2-ynyl-dimethylsilane
SMILESC[SiH](C)CC#Cc1ccnc(C(F)F)c1
InChIInChI=1S/C11H13F2NSi/c1-15(2)7-3-4-9-5-6-14-10(8-9)11(12)13/h5-6,8,11,15H,7H2,1-2H3
InChIKeyFSXPAWZTVRJPAS-UHFFFAOYSA-N
XLogP2.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.86
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethyl)-4-pyridinyl]prop-2-ynyl-dimethylsilane?
The IUPAC name of 3-[2-(difluoromethyl)-4-pyridinyl]prop-2-ynyl-dimethylsilane (CID 158132249) is 3-[2-(difluoromethyl)-4-pyridinyl]prop-2-ynyl-dimethylsilane.
What is the SMILES notation for 3-[2-(difluoromethyl)-4-pyridinyl]prop-2-ynyl-dimethylsilane?
The canonical SMILES for 3-[2-(difluoromethyl)-4-pyridinyl]prop-2-ynyl-dimethylsilane is C[SiH](C)CC#Cc1ccnc(C(F)F)c1.
What is the InChIKey of 3-[2-(difluoromethyl)-4-pyridinyl]prop-2-ynyl-dimethylsilane?
The InChIKey is FSXPAWZTVRJPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NSi/c1-15(2)7-3-4-9-5-6-14-10(8-9)11(12)13/h5-6,8,11,15H,7H2,1-2H3.
What are the key properties of 3-[2-(difluoromethyl)-4-pyridinyl]prop-2-ynyl-dimethylsilane?
3-[2-(difluoromethyl)-4-pyridinyl]prop-2-ynyl-dimethylsilane has a molecular weight of 225.31 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethyl)-4-pyridinyl]prop-2-ynyl-dimethylsilane is sourced from PubChem (CID 158132249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).