2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane

C17H21ClN2OSi — CID 164812062

IUPAC2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c2ccccc2c2ccc(Cl)nc21
InChIInChI=1S/C17H21ClN2OSi/c1-22(2,3)11-10-21-12-20-15-7-5-4-6-13(15)14-8-9-16(18)19-17(14)20/h4-9H,10-12H2,1-3H3
InChIKeyLRRSMCABEWEDNS-UHFFFAOYSA-N
MW332.91 g/mol
LogP5.16
Rot. Bonds5

About 2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane

2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane (PubChem CID 164812062) has the molecular formula C17H21ClN2OSi and a molecular weight of 332.91 g/mol. Its IUPAC name is 2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane
PubChem CID164812062
Molecular FormulaC17H21ClN2OSi
Molecular Weight332.91 g/mol
Exact Mass332.11
IUPAC Name2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c2ccccc2c2ccc(Cl)nc21
InChIInChI=1S/C17H21ClN2OSi/c1-22(2,3)11-10-21-12-20-15-7-5-4-6-13(15)14-8-9-16(18)19-17(14)20/h4-9H,10-12H2,1-3H3
InChIKeyLRRSMCABEWEDNS-UHFFFAOYSA-N
XLogP5.16
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.91
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane (CID 164812062) is 2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c2ccccc2c2ccc(Cl)nc21.
What is the InChIKey of 2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is LRRSMCABEWEDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2OSi/c1-22(2,3)11-10-21-12-20-15-7-5-4-6-13(15)14-8-9-16(18)19-17(14)20/h4-9H,10-12H2,1-3H3.
What are the key properties of 2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane?
2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 332.91 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 164812062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).