2-[(6-chloro-4-nitroindol-1-yl)methoxy]ethyl-trimethylsilane

C14H19ClN2O3Si — CID 131736189

IUPAC2-[(6-chloro-4-nitroindol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c([N+](=O)[O-])cc(Cl)cc21
InChIInChI=1S/C14H19ClN2O3Si/c1-21(2,3)7-6-20-10-16-5-4-12-13(16)8-11(15)9-14(12)17(18)19/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyVYNAAGDKDHLECI-UHFFFAOYSA-N
MW326.86 g/mol
LogP4.52
Rot. Bonds6

About 2-[(6-chloro-4-nitroindol-1-yl)methoxy]ethyl-trimethylsilane

2-[(6-chloro-4-nitroindol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 131736189) has the molecular formula C14H19ClN2O3Si and a molecular weight of 326.86 g/mol. Its IUPAC name is 2-[(6-chloro-4-nitroindol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(6-chloro-4-nitroindol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID131736189
Molecular FormulaC14H19ClN2O3Si
Molecular Weight326.86 g/mol
Exact Mass326.09
IUPAC Name2-[(6-chloro-4-nitroindol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c([N+](=O)[O-])cc(Cl)cc21
InChIInChI=1S/C14H19ClN2O3Si/c1-21(2,3)7-6-20-10-16-5-4-12-13(16)8-11(15)9-14(12)17(18)19/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyVYNAAGDKDHLECI-UHFFFAOYSA-N
XLogP4.52
TPSA57.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.86
LogP ≤ 54.52
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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-4-nitroindol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(6-chloro-4-nitroindol-1-yl)methoxy]ethyl-trimethylsilane (CID 131736189) is 2-[(6-chloro-4-nitroindol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(6-chloro-4-nitroindol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(6-chloro-4-nitroindol-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ccc2c([N+](=O)[O-])cc(Cl)cc21.
What is the InChIKey of 2-[(6-chloro-4-nitroindol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is VYNAAGDKDHLECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3Si/c1-21(2,3)7-6-20-10-16-5-4-12-13(16)8-11(15)9-14(12)17(18)19/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of 2-[(6-chloro-4-nitroindol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(6-chloro-4-nitroindol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 326.86 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-4-nitroindol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 131736189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).