3-dimethoxysilylbutyl pyridine-2-carboxylate

C12H19NO4Si — CID 154185304

IUPAC3-dimethoxysilylbutyl pyridine-2-carboxylate
SMILESCO[SiH](OC)C(C)CCOC(=O)c1ccccn1
InChIInChI=1S/C12H19NO4Si/c1-10(18(15-2)16-3)7-9-17-12(14)11-6-4-5-8-13-11/h4-6,8,10,18H,7,9H2,1-3H3
InChIKeyNBJHVUHVJITITG-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.53
Rot. Bonds7

About 3-dimethoxysilylbutyl pyridine-2-carboxylate

3-dimethoxysilylbutyl pyridine-2-carboxylate (PubChem CID 154185304) has the molecular formula C12H19NO4Si and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-dimethoxysilylbutyl pyridine-2-carboxylate.

Molecular Properties

Compound Name3-dimethoxysilylbutyl pyridine-2-carboxylate
PubChem CID154185304
Molecular FormulaC12H19NO4Si
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name3-dimethoxysilylbutyl pyridine-2-carboxylate
SMILESCO[SiH](OC)C(C)CCOC(=O)c1ccccn1
InChIInChI=1S/C12H19NO4Si/c1-10(18(15-2)16-3)7-9-17-12(14)11-6-4-5-8-13-11/h4-6,8,10,18H,7,9H2,1-3H3
InChIKeyNBJHVUHVJITITG-UHFFFAOYSA-N
XLogP1.53
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-dimethoxysilylbutyl pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-trimethoxysilylethyl pyridine-2-carboxylate
CID 68835998
ethyl pyridine-2-carboxylate
CID 17307
2-(methylamino)ethyl pyridine-2-carboxylate
CID 23103066
2-methylpentyl pyridine-2-carboxylate
CID 150671770
tris[1-(1-methoxyethoxy)ethoxy]silylmethyl pyridine-2-carboxylate
CID 69012079
2-acetamidoethyl pyridine-2-carboxylate
CID 141131382
1-aminoethyl pyridine-2-carboxylate
CID 141264689
(4-amino-2,3-dimethyl-4-oxobutyl) pyridine-2-carboxylate
CID 67908094
1-aminobutyl pyridine-2-carboxylate
CID 174954272
3-triethoxysilylpropyl pyridine-2-carboxylate
CID 68836141
3-(3,4-dihydroxy-2-methylpyridin-1-ium-1-yl)propyl pyridine-2-carboxylate chloride
CID 10758369
4-tri(propan-2-yl)silyloxybutan-2-yl pyridine-2-carboxylate
CID 100987019

Frequently Asked Questions

What is the IUPAC name of 3-dimethoxysilylbutyl pyridine-2-carboxylate?
The IUPAC name of 3-dimethoxysilylbutyl pyridine-2-carboxylate (CID 154185304) is 3-dimethoxysilylbutyl pyridine-2-carboxylate.
What is the SMILES notation for 3-dimethoxysilylbutyl pyridine-2-carboxylate?
The canonical SMILES for 3-dimethoxysilylbutyl pyridine-2-carboxylate is CO[SiH](OC)C(C)CCOC(=O)c1ccccn1.
What is the InChIKey of 3-dimethoxysilylbutyl pyridine-2-carboxylate?
The InChIKey is NBJHVUHVJITITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4Si/c1-10(18(15-2)16-3)7-9-17-12(14)11-6-4-5-8-13-11/h4-6,8,10,18H,7,9H2,1-3H3.
What are the key properties of 3-dimethoxysilylbutyl pyridine-2-carboxylate?
3-dimethoxysilylbutyl pyridine-2-carboxylate has a molecular weight of 269.37 g/mol, XLogP of 1.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethoxysilylbutyl pyridine-2-carboxylate is sourced from PubChem (CID 154185304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).