methyl (2R)-1-benzyl-2-(4-fluorophenyl)-2H-pyridine-5-carboxylate

C20H18FNO2 — CID 53235710

IUPACmethyl (2R)-1-benzyl-2-(4-fluorophenyl)-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CN(Cc2ccccc2)[C@@H](c2ccc(F)cc2)C=C1
InChIInChI=1S/C20H18FNO2/c1-24-20(23)17-9-12-19(16-7-10-18(21)11-8-16)22(14-17)13-15-5-3-2-4-6-15/h2-12,14,19H,13H2,1H3/t19-/m1/s1
InChIKeyJCZYHBIWLWYXTR-LJQANCHMSA-N
MW323.37 g/mol
LogP4.00
Rot. Bonds4

About methyl (2R)-1-benzyl-2-(4-fluorophenyl)-2H-pyridine-5-carboxylate

methyl (2R)-1-benzyl-2-(4-fluorophenyl)-2H-pyridine-5-carboxylate (PubChem CID 53235710) has the molecular formula C20H18FNO2 and a molecular weight of 323.37 g/mol. Its IUPAC name is methyl (2R)-1-benzyl-2-(4-fluorophenyl)-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-benzyl-2-(4-fluorophenyl)-2H-pyridine-5-carboxylate
PubChem CID53235710
Molecular FormulaC20H18FNO2
Molecular Weight323.37 g/mol
Exact Mass323.13
IUPAC Namemethyl (2R)-1-benzyl-2-(4-fluorophenyl)-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CN(Cc2ccccc2)[C@@H](c2ccc(F)cc2)C=C1
InChIInChI=1S/C20H18FNO2/c1-24-20(23)17-9-12-19(16-7-10-18(21)11-8-16)22(14-17)13-15-5-3-2-4-6-15/h2-12,14,19H,13H2,1H3/t19-/m1/s1
InChIKeyJCZYHBIWLWYXTR-LJQANCHMSA-N
XLogP4.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-benzyl-2-(4-fluorophenyl)-2H-pyridine-5-carboxylate?
The IUPAC name of methyl (2R)-1-benzyl-2-(4-fluorophenyl)-2H-pyridine-5-carboxylate (CID 53235710) is methyl (2R)-1-benzyl-2-(4-fluorophenyl)-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl (2R)-1-benzyl-2-(4-fluorophenyl)-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl (2R)-1-benzyl-2-(4-fluorophenyl)-2H-pyridine-5-carboxylate is COC(=O)C1=CN(Cc2ccccc2)[C@@H](c2ccc(F)cc2)C=C1.
What is the InChIKey of methyl (2R)-1-benzyl-2-(4-fluorophenyl)-2H-pyridine-5-carboxylate?
The InChIKey is JCZYHBIWLWYXTR-LJQANCHMSA-N. The full InChI is InChI=1S/C20H18FNO2/c1-24-20(23)17-9-12-19(16-7-10-18(21)11-8-16)22(14-17)13-15-5-3-2-4-6-15/h2-12,14,19H,13H2,1H3/t19-/m1/s1.
What are the key properties of methyl (2R)-1-benzyl-2-(4-fluorophenyl)-2H-pyridine-5-carboxylate?
methyl (2R)-1-benzyl-2-(4-fluorophenyl)-2H-pyridine-5-carboxylate has a molecular weight of 323.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-benzyl-2-(4-fluorophenyl)-2H-pyridine-5-carboxylate is sourced from PubChem (CID 53235710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).