2-[(6-chloro-4-nitropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

C13H18ClN3O3Si — CID 46941608

IUPAC2-[(6-chloro-4-nitropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c([N+](=O)[O-])cc(Cl)nc21
InChIInChI=1S/C13H18ClN3O3Si/c1-21(2,3)7-6-20-9-16-5-4-10-11(17(18)19)8-12(14)15-13(10)16/h4-5,8H,6-7,9H2,1-3H3
InChIKeyRNOMBRWJOMMWLN-UHFFFAOYSA-N
MW327.84 g/mol
LogP3.91
Rot. Bonds6

About 2-[(6-chloro-4-nitropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

2-[(6-chloro-4-nitropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 46941608) has the molecular formula C13H18ClN3O3Si and a molecular weight of 327.84 g/mol. Its IUPAC name is 2-[(6-chloro-4-nitropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(6-chloro-4-nitropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID46941608
Molecular FormulaC13H18ClN3O3Si
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name2-[(6-chloro-4-nitropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c([N+](=O)[O-])cc(Cl)nc21
InChIInChI=1S/C13H18ClN3O3Si/c1-21(2,3)7-6-20-9-16-5-4-10-11(17(18)19)8-12(14)15-13(10)16/h4-5,8H,6-7,9H2,1-3H3
InChIKeyRNOMBRWJOMMWLN-UHFFFAOYSA-N
XLogP3.91
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}, {'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-nitropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(6-chloro-4-nitropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (CID 46941608) is 2-[(6-chloro-4-nitropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(6-chloro-4-nitropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(6-chloro-4-nitropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ccc2c([N+](=O)[O-])cc(Cl)nc21.
What is the InChIKey of 2-[(6-chloro-4-nitropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is RNOMBRWJOMMWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3Si/c1-21(2,3)7-6-20-9-16-5-4-10-11(17(18)19)8-12(14)15-13(10)16/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 2-[(6-chloro-4-nitropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
2-[(6-chloro-4-nitropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 327.84 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-4-nitropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 46941608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).