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

C14H14FNO2 — CID 132520300

IUPACethyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC=C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C14H14FNO2/c1-2-18-14(17)16-10-4-3-5-13(16)11-6-8-12(15)9-7-11/h3-10,13H,2H2,1H3/t13-/m1/s1
InChIKeyOVOAAORBPHLMEQ-CYBMUJFWSA-N
MW247.27 g/mol
LogP3.41
Rot. Bonds2

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

ethyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate (PubChem CID 132520300) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is ethyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate
PubChem CID132520300
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Nameethyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC=C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C14H14FNO2/c1-2-18-14(17)16-10-4-3-5-13(16)11-6-8-12(15)9-7-11/h3-10,13H,2H2,1H3/t13-/m1/s1
InChIKeyOVOAAORBPHLMEQ-CYBMUJFWSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate (CID 132520300) is ethyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate is CCOC(=O)N1C=CC=C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of ethyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate?
The InChIKey is OVOAAORBPHLMEQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-2-18-14(17)16-10-4-3-5-13(16)11-6-8-12(15)9-7-11/h3-10,13H,2H2,1H3/t13-/m1/s1.
What are the key properties of ethyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate?
ethyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate has a molecular weight of 247.27 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate is sourced from PubChem (CID 132520300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).