phenyl 4-ethyl-3-fluoro-4H-pyridine-1-carboxylate

C14H14FNO2 — CID 71377101

IUPACphenyl 4-ethyl-3-fluoro-4H-pyridine-1-carboxylate
SMILESCCC1C=CN(C(=O)Oc2ccccc2)C=C1F
InChIInChI=1S/C14H14FNO2/c1-2-11-8-9-16(10-13(11)15)14(17)18-12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKeyYTZABDRLMABSBY-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.85
Rot. Bonds2

About phenyl 4-ethyl-3-fluoro-4H-pyridine-1-carboxylate

phenyl 4-ethyl-3-fluoro-4H-pyridine-1-carboxylate (PubChem CID 71377101) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is phenyl 4-ethyl-3-fluoro-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-ethyl-3-fluoro-4H-pyridine-1-carboxylate
PubChem CID71377101
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Namephenyl 4-ethyl-3-fluoro-4H-pyridine-1-carboxylate
SMILESCCC1C=CN(C(=O)Oc2ccccc2)C=C1F
InChIInChI=1S/C14H14FNO2/c1-2-11-8-9-16(10-13(11)15)14(17)18-12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKeyYTZABDRLMABSBY-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl 4-ethyl-3-fluoro-4H-pyridine-1-carboxylate?
The IUPAC name of phenyl 4-ethyl-3-fluoro-4H-pyridine-1-carboxylate (CID 71377101) is phenyl 4-ethyl-3-fluoro-4H-pyridine-1-carboxylate.
What is the SMILES notation for phenyl 4-ethyl-3-fluoro-4H-pyridine-1-carboxylate?
The canonical SMILES for phenyl 4-ethyl-3-fluoro-4H-pyridine-1-carboxylate is CCC1C=CN(C(=O)Oc2ccccc2)C=C1F.
What is the InChIKey of phenyl 4-ethyl-3-fluoro-4H-pyridine-1-carboxylate?
The InChIKey is YTZABDRLMABSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-2-11-8-9-16(10-13(11)15)14(17)18-12-6-4-3-5-7-12/h3-11H,2H2,1H3.
What are the key properties of phenyl 4-ethyl-3-fluoro-4H-pyridine-1-carboxylate?
phenyl 4-ethyl-3-fluoro-4H-pyridine-1-carboxylate has a molecular weight of 247.27 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-ethyl-3-fluoro-4H-pyridine-1-carboxylate is sourced from PubChem (CID 71377101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).