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

C19H16FNO2 — CID 134954850

IUPACbenzyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1C=CC=C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C19H16FNO2/c20-17-11-9-16(10-12-17)18-8-4-5-13-21(18)19(22)23-14-15-6-2-1-3-7-15/h1-13,18H,14H2/t18-/m1/s1
InChIKeyGALIOFGTTUPXQL-GOSISDBHSA-N
MW309.34 g/mol
LogP4.59
Rot. Bonds3

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

benzyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate (PubChem CID 134954850) has the molecular formula C19H16FNO2 and a molecular weight of 309.34 g/mol. Its IUPAC name is benzyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate
PubChem CID134954850
Molecular FormulaC19H16FNO2
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Namebenzyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1C=CC=C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C19H16FNO2/c20-17-11-9-16(10-12-17)18-8-4-5-13-21(18)19(22)23-14-15-6-2-1-3-7-15/h1-13,18H,14H2/t18-/m1/s1
InChIKeyGALIOFGTTUPXQL-GOSISDBHSA-N
XLogP4.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze benzyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-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 benzyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate (CID 134954850) is benzyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate is O=C(OCc1ccccc1)N1C=CC=C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of benzyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate?
The InChIKey is GALIOFGTTUPXQL-GOSISDBHSA-N. The full InChI is InChI=1S/C19H16FNO2/c20-17-11-9-16(10-12-17)18-8-4-5-13-21(18)19(22)23-14-15-6-2-1-3-7-15/h1-13,18H,14H2/t18-/m1/s1.
What are the key properties of benzyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate?
benzyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate has a molecular weight of 309.34 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate is sourced from PubChem (CID 134954850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).