2-[[4-chloro-2-[5-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C19H21ClF3N3OSi — CID 142533708

IUPAC2-[[4-chloro-2-[5-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2cncc(C(F)(F)F)c2)cc2c(Cl)ccnc21
InChIInChI=1S/C19H21ClF3N3OSi/c1-28(2,3)7-6-27-12-26-17(9-15-16(20)4-5-25-18(15)26)13-8-14(11-24-10-13)19(21,22)23/h4-5,8-11H,6-7,12H2,1-3H3
InChIKeyYDDSMOFPFUBKBN-UHFFFAOYSA-N
MW427.93 g/mol
LogP6.08
Rot. Bonds6

About 2-[[4-chloro-2-[5-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-chloro-2-[5-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 142533708) has the molecular formula C19H21ClF3N3OSi and a molecular weight of 427.93 g/mol. Its IUPAC name is 2-[[4-chloro-2-[5-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-chloro-2-[5-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID142533708
Molecular FormulaC19H21ClF3N3OSi
Molecular Weight427.93 g/mol
Exact Mass427.11
IUPAC Name2-[[4-chloro-2-[5-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2cncc(C(F)(F)F)c2)cc2c(Cl)ccnc21
InChIInChI=1S/C19H21ClF3N3OSi/c1-28(2,3)7-6-27-12-26-17(9-15-16(20)4-5-25-18(15)26)13-8-14(11-24-10-13)19(21,22)23/h4-5,8-11H,6-7,12H2,1-3H3
InChIKeyYDDSMOFPFUBKBN-UHFFFAOYSA-N
XLogP6.08
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.93
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-2-[5-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-chloro-2-[5-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 142533708) is 2-[[4-chloro-2-[5-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-chloro-2-[5-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-chloro-2-[5-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(-c2cncc(C(F)(F)F)c2)cc2c(Cl)ccnc21.
What is the InChIKey of 2-[[4-chloro-2-[5-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is YDDSMOFPFUBKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF3N3OSi/c1-28(2,3)7-6-27-12-26-17(9-15-16(20)4-5-25-18(15)26)13-8-14(11-24-10-13)19(21,22)23/h4-5,8-11H,6-7,12H2,1-3H3.
What are the key properties of 2-[[4-chloro-2-[5-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-chloro-2-[5-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 427.93 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-2-[5-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 142533708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).