methyl 6-chloro-2-(2-fluoro-4-trimethylsilylanilino)-2-methyl-3H-pyridine-3-carboxylate

C17H22ClFN2O2Si — CID 163623104

IUPACmethyl 6-chloro-2-(2-fluoro-4-trimethylsilylanilino)-2-methyl-3H-pyridine-3-carboxylate
SMILESCOC(=O)C1C=CC(Cl)=NC1(C)Nc1ccc([Si](C)(C)C)cc1F
InChIInChI=1S/C17H22ClFN2O2Si/c1-17(12(16(22)23-2)7-9-15(18)21-17)20-14-8-6-11(10-13(14)19)24(3,4)5/h6-10,12,20H,1-5H3
InChIKeyHPVMDIYJJMQNIQ-UHFFFAOYSA-N
MW368.91 g/mol
LogP3.50
Rot. Bonds4

About methyl 6-chloro-2-(2-fluoro-4-trimethylsilylanilino)-2-methyl-3H-pyridine-3-carboxylate

methyl 6-chloro-2-(2-fluoro-4-trimethylsilylanilino)-2-methyl-3H-pyridine-3-carboxylate (PubChem CID 163623104) has the molecular formula C17H22ClFN2O2Si and a molecular weight of 368.91 g/mol. Its IUPAC name is methyl 6-chloro-2-(2-fluoro-4-trimethylsilylanilino)-2-methyl-3H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-2-(2-fluoro-4-trimethylsilylanilino)-2-methyl-3H-pyridine-3-carboxylate
PubChem CID163623104
Molecular FormulaC17H22ClFN2O2Si
Molecular Weight368.91 g/mol
Exact Mass368.11
IUPAC Namemethyl 6-chloro-2-(2-fluoro-4-trimethylsilylanilino)-2-methyl-3H-pyridine-3-carboxylate
SMILESCOC(=O)C1C=CC(Cl)=NC1(C)Nc1ccc([Si](C)(C)C)cc1F
InChIInChI=1S/C17H22ClFN2O2Si/c1-17(12(16(22)23-2)7-9-15(18)21-17)20-14-8-6-11(10-13(14)19)24(3,4)5/h6-10,12,20H,1-5H3
InChIKeyHPVMDIYJJMQNIQ-UHFFFAOYSA-N
XLogP3.50
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 6-chloro-2-(2-fluoro-4-trimethylsilylanilino)-2-methyl-3H-pyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-2-(2-fluoro-4-trimethylsilylanilino)-2-methyl-3H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-chloro-2-(2-fluoro-4-trimethylsilylanilino)-2-methyl-3H-pyridine-3-carboxylate (CID 163623104) is methyl 6-chloro-2-(2-fluoro-4-trimethylsilylanilino)-2-methyl-3H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-2-(2-fluoro-4-trimethylsilylanilino)-2-methyl-3H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-chloro-2-(2-fluoro-4-trimethylsilylanilino)-2-methyl-3H-pyridine-3-carboxylate is COC(=O)C1C=CC(Cl)=NC1(C)Nc1ccc([Si](C)(C)C)cc1F.
What is the InChIKey of methyl 6-chloro-2-(2-fluoro-4-trimethylsilylanilino)-2-methyl-3H-pyridine-3-carboxylate?
The InChIKey is HPVMDIYJJMQNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O2Si/c1-17(12(16(22)23-2)7-9-15(18)21-17)20-14-8-6-11(10-13(14)19)24(3,4)5/h6-10,12,20H,1-5H3.
What are the key properties of methyl 6-chloro-2-(2-fluoro-4-trimethylsilylanilino)-2-methyl-3H-pyridine-3-carboxylate?
methyl 6-chloro-2-(2-fluoro-4-trimethylsilylanilino)-2-methyl-3H-pyridine-3-carboxylate has a molecular weight of 368.91 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-2-(2-fluoro-4-trimethylsilylanilino)-2-methyl-3H-pyridine-3-carboxylate is sourced from PubChem (CID 163623104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).