methyl 4-amino-6-chloro-5-fluoro-3-(4-trimethylsilylphenyl)pyridine-2-carboxylate

C16H18ClFN2O2Si — CID 172742481

IUPACmethyl 4-amino-6-chloro-5-fluoro-3-(4-trimethylsilylphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(F)c(N)c1-c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C16H18ClFN2O2Si/c1-22-16(21)14-11(13(19)12(18)15(17)20-14)9-5-7-10(8-6-9)23(2,3)4/h5-8H,1-4H3,(H2,19,20)
InChIKeyJHBBEXPBHCBCNS-UHFFFAOYSA-N
MW352.87 g/mol
LogP3.46
Rot. Bonds3

About methyl 4-amino-6-chloro-5-fluoro-3-(4-trimethylsilylphenyl)pyridine-2-carboxylate

methyl 4-amino-6-chloro-5-fluoro-3-(4-trimethylsilylphenyl)pyridine-2-carboxylate (PubChem CID 172742481) has the molecular formula C16H18ClFN2O2Si and a molecular weight of 352.87 g/mol. Its IUPAC name is methyl 4-amino-6-chloro-5-fluoro-3-(4-trimethylsilylphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-chloro-5-fluoro-3-(4-trimethylsilylphenyl)pyridine-2-carboxylate
PubChem CID172742481
Molecular FormulaC16H18ClFN2O2Si
Molecular Weight352.87 g/mol
Exact Mass352.08
IUPAC Namemethyl 4-amino-6-chloro-5-fluoro-3-(4-trimethylsilylphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(F)c(N)c1-c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C16H18ClFN2O2Si/c1-22-16(21)14-11(13(19)12(18)15(17)20-14)9-5-7-10(8-6-9)23(2,3)4/h5-8H,1-4H3,(H2,19,20)
InChIKeyJHBBEXPBHCBCNS-UHFFFAOYSA-N
XLogP3.46
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 4-amino-6-chloro-5-fluoro-3-(4-trimethylsilylphenyl)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

methyl 4-amino-6-chloro-3-(4-cyano-2-fluorophenyl)-5-fluoropyridine-2-carboxylate
CID 172844896
methyl 3-amino-4,5,6-trichloropyridine-2-carboxylate
CID 86668297
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate
CID 70498124
methyl 2-amino-5-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylate
CID 135499579
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate
CID 59432126
methyl 4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
CID 90415028
methyl 4-amino-6-chloro-3-(4-chlorophenyl)pyridine-2-carboxylate
CID 88889558
methyl 4-amino-3,6-dichloro-5-iodopyridine-2-carboxylate
CID 90403719
methyl 4-amino-6-chloro-3-ethenyl-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-chloro-5-fluoro-3-iodopyridine-2-carboxylate
CID 157301933
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(1-fluoroethenyl)pyridine-2-carboxylate
CID 59432141
methyl 4-amino-3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 22677364
methyl 4-amino-6-(2-amino-5-chloro-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate
CID 67974861

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-chloro-5-fluoro-3-(4-trimethylsilylphenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-6-chloro-5-fluoro-3-(4-trimethylsilylphenyl)pyridine-2-carboxylate (CID 172742481) is methyl 4-amino-6-chloro-5-fluoro-3-(4-trimethylsilylphenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-6-chloro-5-fluoro-3-(4-trimethylsilylphenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-6-chloro-5-fluoro-3-(4-trimethylsilylphenyl)pyridine-2-carboxylate is COC(=O)c1nc(Cl)c(F)c(N)c1-c1ccc([Si](C)(C)C)cc1.
What is the InChIKey of methyl 4-amino-6-chloro-5-fluoro-3-(4-trimethylsilylphenyl)pyridine-2-carboxylate?
The InChIKey is JHBBEXPBHCBCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O2Si/c1-22-16(21)14-11(13(19)12(18)15(17)20-14)9-5-7-10(8-6-9)23(2,3)4/h5-8H,1-4H3,(H2,19,20).
What are the key properties of methyl 4-amino-6-chloro-5-fluoro-3-(4-trimethylsilylphenyl)pyridine-2-carboxylate?
methyl 4-amino-6-chloro-5-fluoro-3-(4-trimethylsilylphenyl)pyridine-2-carboxylate has a molecular weight of 352.87 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-chloro-5-fluoro-3-(4-trimethylsilylphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 172742481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).