2-[[4-chloro-3-(difluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C13H18ClF2N3OSi — CID 167528226

IUPAC2-[[4-chloro-3-(difluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(C(F)F)c2c(Cl)nccc21
InChIInChI=1S/C13H18ClF2N3OSi/c1-21(2,3)7-6-20-8-19-9-4-5-17-12(14)10(9)11(18-19)13(15)16/h4-5,13H,6-8H2,1-3H3
InChIKeySFNXMORHWKMKSQ-UHFFFAOYSA-N
MW333.84 g/mol
LogP4.33
Rot. Bonds6

About 2-[[4-chloro-3-(difluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-chloro-3-(difluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 167528226) has the molecular formula C13H18ClF2N3OSi and a molecular weight of 333.84 g/mol. Its IUPAC name is 2-[[4-chloro-3-(difluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-chloro-3-(difluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID167528226
Molecular FormulaC13H18ClF2N3OSi
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name2-[[4-chloro-3-(difluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(C(F)F)c2c(Cl)nccc21
InChIInChI=1S/C13H18ClF2N3OSi/c1-21(2,3)7-6-20-8-19-9-4-5-17-12(14)10(9)11(18-19)13(15)16/h4-5,13H,6-8H2,1-3H3
InChIKeySFNXMORHWKMKSQ-UHFFFAOYSA-N
XLogP4.33
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-3-(difluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-chloro-3-(difluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 167528226) is 2-[[4-chloro-3-(difluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-chloro-3-(difluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-chloro-3-(difluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(C(F)F)c2c(Cl)nccc21.
What is the InChIKey of 2-[[4-chloro-3-(difluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is SFNXMORHWKMKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF2N3OSi/c1-21(2,3)7-6-20-8-19-9-4-5-17-12(14)10(9)11(18-19)13(15)16/h4-5,13H,6-8H2,1-3H3.
What are the key properties of 2-[[4-chloro-3-(difluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-chloro-3-(difluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 333.84 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-3-(difluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 167528226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).