2-bromo-1,5-naphthyridine;ethynyl(trimethyl)silane;trimethyl-[2-(1,5-naphthyridin-2-yl)ethynyl]silane

C26H29BrN4Si2 — CID 158576126

IUPAC2-bromo-1,5-naphthyridine;ethynyl(trimethyl)silane;trimethyl-[2-(1,5-naphthyridin-2-yl)ethynyl]silane
SMILESBrc1ccc2ncccc2n1.C#C[Si](C)(C)C.C[Si](C)(C)C#Cc1ccc2ncccc2n1
InChIInChI=1S/C13H14N2Si.C8H5BrN2.C5H10Si/c1-16(2,3)10-8-11-6-7-12-13(15-11)5-4-9-14-12;9-8-4-3-6-7(11-8)2-1-5-10-6;1-5-6(2,3)4/h4-7,9H,1-3H3;1-5H;1H,2-4H3
InChIKeyHSRICPRTADGIGU-UHFFFAOYSA-N
MW533.62 g/mol
LogP6.75
Rot. Bonds

About 2-bromo-1,5-naphthyridine;ethynyl(trimethyl)silane;trimethyl-[2-(1,5-naphthyridin-2-yl)ethynyl]silane

2-bromo-1,5-naphthyridine;ethynyl(trimethyl)silane;trimethyl-[2-(1,5-naphthyridin-2-yl)ethynyl]silane (PubChem CID 158576126) has the molecular formula C26H29BrN4Si2 and a molecular weight of 533.62 g/mol. Its IUPAC name is 2-bromo-1,5-naphthyridine;ethynyl(trimethyl)silane;trimethyl-[2-(1,5-naphthyridin-2-yl)ethynyl]silane.

Molecular Properties

Compound Name2-bromo-1,5-naphthyridine;ethynyl(trimethyl)silane;trimethyl-[2-(1,5-naphthyridin-2-yl)ethynyl]silane
PubChem CID158576126
Molecular FormulaC26H29BrN4Si2
Molecular Weight533.62 g/mol
Exact Mass532.11
IUPAC Name2-bromo-1,5-naphthyridine;ethynyl(trimethyl)silane;trimethyl-[2-(1,5-naphthyridin-2-yl)ethynyl]silane
SMILESBrc1ccc2ncccc2n1.C#C[Si](C)(C)C.C[Si](C)(C)C#Cc1ccc2ncccc2n1
InChIInChI=1S/C13H14N2Si.C8H5BrN2.C5H10Si/c1-16(2,3)10-8-11-6-7-12-13(15-11)5-4-9-14-12;9-8-4-3-6-7(11-8)2-1-5-10-6;1-5-6(2,3)4/h4-7,9H,1-3H3;1-5H;1H,2-4H3
InChIKeyHSRICPRTADGIGU-UHFFFAOYSA-N
XLogP6.75
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.62
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,5-naphthyridine;ethynyl(trimethyl)silane;trimethyl-[2-(1,5-naphthyridin-2-yl)ethynyl]silane?
The IUPAC name of 2-bromo-1,5-naphthyridine;ethynyl(trimethyl)silane;trimethyl-[2-(1,5-naphthyridin-2-yl)ethynyl]silane (CID 158576126) is 2-bromo-1,5-naphthyridine;ethynyl(trimethyl)silane;trimethyl-[2-(1,5-naphthyridin-2-yl)ethynyl]silane.
What is the SMILES notation for 2-bromo-1,5-naphthyridine;ethynyl(trimethyl)silane;trimethyl-[2-(1,5-naphthyridin-2-yl)ethynyl]silane?
The canonical SMILES for 2-bromo-1,5-naphthyridine;ethynyl(trimethyl)silane;trimethyl-[2-(1,5-naphthyridin-2-yl)ethynyl]silane is Brc1ccc2ncccc2n1.C#C[Si](C)(C)C.C[Si](C)(C)C#Cc1ccc2ncccc2n1.
What is the InChIKey of 2-bromo-1,5-naphthyridine;ethynyl(trimethyl)silane;trimethyl-[2-(1,5-naphthyridin-2-yl)ethynyl]silane?
The InChIKey is HSRICPRTADGIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2Si.C8H5BrN2.C5H10Si/c1-16(2,3)10-8-11-6-7-12-13(15-11)5-4-9-14-12;9-8-4-3-6-7(11-8)2-1-5-10-6;1-5-6(2,3)4/h4-7,9H,1-3H3;1-5H;1H,2-4H3.
What are the key properties of 2-bromo-1,5-naphthyridine;ethynyl(trimethyl)silane;trimethyl-[2-(1,5-naphthyridin-2-yl)ethynyl]silane?
2-bromo-1,5-naphthyridine;ethynyl(trimethyl)silane;trimethyl-[2-(1,5-naphthyridin-2-yl)ethynyl]silane has a molecular weight of 533.62 g/mol, XLogP of 6.75, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,5-naphthyridine;ethynyl(trimethyl)silane;trimethyl-[2-(1,5-naphthyridin-2-yl)ethynyl]silane is sourced from PubChem (CID 158576126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).