2-[2-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane

C14H19BrClIN2OSi — CID 67280459

IUPAC2-[2-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCCn1cc(I)c2c(Cl)c(Br)cnc21
InChIInChI=1S/C14H19BrClIN2OSi/c1-21(2,3)7-6-20-5-4-19-9-11(17)12-13(16)10(15)8-18-14(12)19/h8-9H,4-7H2,1-3H3
InChIKeyHRRVLPMFHOYFQX-UHFFFAOYSA-N
MW501.67 g/mol
LogP5.41
Rot. Bonds6

About 2-[2-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane

2-[2-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane (PubChem CID 67280459) has the molecular formula C14H19BrClIN2OSi and a molecular weight of 501.67 g/mol. Its IUPAC name is 2-[2-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[2-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane
PubChem CID67280459
Molecular FormulaC14H19BrClIN2OSi
Molecular Weight501.67 g/mol
Exact Mass499.92
IUPAC Name2-[2-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCCn1cc(I)c2c(Cl)c(Br)cnc21
InChIInChI=1S/C14H19BrClIN2OSi/c1-21(2,3)7-6-20-5-4-19-9-11(17)12-13(16)10(15)8-18-14(12)19/h8-9H,4-7H2,1-3H3
InChIKeyHRRVLPMFHOYFQX-UHFFFAOYSA-N
XLogP5.41
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.67
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane
CID 67280464
2-[(5-bromo-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 59297026
2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86679621
2-[(4-chloro-5-iodo-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86706959
2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
CID 155673212
2-[(2-chloro-4-cyclopentyloxy-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86726423
N-ethyl-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 58395851
5-iodo-2,3-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one
CID 167537057
2-[(3-chloro-5-iodopyrrolo[2,3-c]pyridazin-7-yl)methoxy]ethyl-trimethylsilane
CID 170546086
2-[[2-chloro-5-iodo-4-(1-methylcyclobutyl)oxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
CID 86726484
2-[(3-bromo-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl)methoxy]ethyl-trimethylsilane
CID 141466960
methyl 2-[5-iodo-4-(2-trimethylsilylethoxy)pyrrolo[2,3-d]pyrimidin-7-yl]acetate
CID 155630757

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[2-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane (CID 67280459) is 2-[2-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[2-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[2-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCCn1cc(I)c2c(Cl)c(Br)cnc21.
What is the InChIKey of 2-[2-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane?
The InChIKey is HRRVLPMFHOYFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClIN2OSi/c1-21(2,3)7-6-20-5-4-19-9-11(17)12-13(16)10(15)8-18-14(12)19/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-[2-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane?
2-[2-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane has a molecular weight of 501.67 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 67280459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).