methyl (4S)-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate

C19H16FNO2 — CID 139092977

IUPACmethyl (4S)-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CN(c2ccc(F)cc2)C=C[C@H]1c1ccccc1
InChIInChI=1S/C19H16FNO2/c1-23-19(22)18-13-21(16-9-7-15(20)8-10-16)12-11-17(18)14-5-3-2-4-6-14/h2-13,17H,1H3/t17-/m0/s1
InChIKeyPZSYYFYNFLFNHT-KRWDZBQOSA-N
MW309.34 g/mol
LogP4.00
Rot. Bonds3

About methyl (4S)-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate

methyl (4S)-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate (PubChem CID 139092977) has the molecular formula C19H16FNO2 and a molecular weight of 309.34 g/mol. Its IUPAC name is methyl (4S)-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate
PubChem CID139092977
Molecular FormulaC19H16FNO2
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Namemethyl (4S)-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CN(c2ccc(F)cc2)C=C[C@H]1c1ccccc1
InChIInChI=1S/C19H16FNO2/c1-23-19(22)18-13-21(16-9-7-15(20)8-10-16)12-11-17(18)14-5-3-2-4-6-14/h2-13,17H,1H3/t17-/m0/s1
InChIKeyPZSYYFYNFLFNHT-KRWDZBQOSA-N
XLogP4.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dimethyl 4-(3-bromophenyl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 1295301
Dimethyl 1-(3,4-difluorophenyl)-4-(4-nitrophenyl)-4H-pyridine-3,5-dicarboxylate
CID 1313969
Dimethyl 1-benzyl-4-(2,5-difluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 1336676
1-(3,4-Dimethyl-phenyl)-4-(2-fluoro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester
CID 630047
Dimethyl 1-(4-fluorophenyl)-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 1296864
Dimethyl 1-(3,5-dimethylphenyl)-4-(3-fluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 1298163
Dimethyl 1-(4-fluorophenyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 1322301
methyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate
CID 53382807
methyl 6-amino-5-cyano-4-(3-fluorophenyl)-1-(4-fluorophenyl)-4H-pyridine-3-carboxylate
CID 53382811
methyl 6-amino-5-cyano-4-(3-fluorophenyl)-1-(2,4,6-trimethylphenyl)-4H-pyridine-3-carboxylate
CID 53382814
methyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-(4-phenylphenyl)-4H-pyridine-3-carboxylate
CID 53382815
methyl 6-amino-5-cyano-1-(4-ethylphenyl)-4-(2-fluorophenyl)-4H-pyridine-3-carboxylate
CID 53382825

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate?
The IUPAC name of methyl (4S)-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate (CID 139092977) is methyl (4S)-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate.
What is the SMILES notation for methyl (4S)-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate?
The canonical SMILES for methyl (4S)-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate is COC(=O)C1=CN(c2ccc(F)cc2)C=C[C@H]1c1ccccc1.
What is the InChIKey of methyl (4S)-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate?
The InChIKey is PZSYYFYNFLFNHT-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H16FNO2/c1-23-19(22)18-13-21(16-9-7-15(20)8-10-16)12-11-17(18)14-5-3-2-4-6-14/h2-13,17H,1H3/t17-/m0/s1.
What are the key properties of methyl (4S)-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate?
methyl (4S)-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate has a molecular weight of 309.34 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate is sourced from PubChem (CID 139092977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).