methyl (6R)-6-(4-fluorophenyl)-1,6-dimethylpyridine-3-carboxylate

C15H16FNO2 — CID 154721061

IUPACmethyl (6R)-6-(4-fluorophenyl)-1,6-dimethylpyridine-3-carboxylate
SMILESCOC(=O)C1=CN(C)[C@@](C)(c2ccc(F)cc2)C=C1
InChIInChI=1S/C15H16FNO2/c1-15(12-4-6-13(16)7-5-12)9-8-11(10-17(15)2)14(18)19-3/h4-10H,1-3H3/t15-/m1/s1
InChIKeyVELADBIHCKDUSE-OAHLLOKOSA-N
MW261.30 g/mol
LogP2.60
Rot. Bonds2

About methyl (6R)-6-(4-fluorophenyl)-1,6-dimethylpyridine-3-carboxylate

methyl (6R)-6-(4-fluorophenyl)-1,6-dimethylpyridine-3-carboxylate (PubChem CID 154721061) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is methyl (6R)-6-(4-fluorophenyl)-1,6-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-6-(4-fluorophenyl)-1,6-dimethylpyridine-3-carboxylate
PubChem CID154721061
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Namemethyl (6R)-6-(4-fluorophenyl)-1,6-dimethylpyridine-3-carboxylate
SMILESCOC(=O)C1=CN(C)[C@@](C)(c2ccc(F)cc2)C=C1
InChIInChI=1S/C15H16FNO2/c1-15(12-4-6-13(16)7-5-12)9-8-11(10-17(15)2)14(18)19-3/h4-10H,1-3H3/t15-/m1/s1
InChIKeyVELADBIHCKDUSE-OAHLLOKOSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (6R)-6-(4-fluorophenyl)-1,6-dimethylpyridine-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 (6R)-6-(4-fluorophenyl)-1,6-dimethylpyridine-3-carboxylate?
The IUPAC name of methyl (6R)-6-(4-fluorophenyl)-1,6-dimethylpyridine-3-carboxylate (CID 154721061) is methyl (6R)-6-(4-fluorophenyl)-1,6-dimethylpyridine-3-carboxylate.
What is the SMILES notation for methyl (6R)-6-(4-fluorophenyl)-1,6-dimethylpyridine-3-carboxylate?
The canonical SMILES for methyl (6R)-6-(4-fluorophenyl)-1,6-dimethylpyridine-3-carboxylate is COC(=O)C1=CN(C)[C@@](C)(c2ccc(F)cc2)C=C1.
What is the InChIKey of methyl (6R)-6-(4-fluorophenyl)-1,6-dimethylpyridine-3-carboxylate?
The InChIKey is VELADBIHCKDUSE-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-15(12-4-6-13(16)7-5-12)9-8-11(10-17(15)2)14(18)19-3/h4-10H,1-3H3/t15-/m1/s1.
What are the key properties of methyl (6R)-6-(4-fluorophenyl)-1,6-dimethylpyridine-3-carboxylate?
methyl (6R)-6-(4-fluorophenyl)-1,6-dimethylpyridine-3-carboxylate has a molecular weight of 261.30 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-6-(4-fluorophenyl)-1,6-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 154721061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).