ethyl 5-(2-fluorophenyl)-4-hydroxy-2-methyl-1H-pyrrole-3-carboxylate

C14H14FNO3 — CID 127242377

IUPACethyl 5-(2-fluorophenyl)-4-hydroxy-2-methyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(-c2ccccc2F)c1O
InChIInChI=1S/C14H14FNO3/c1-3-19-14(18)11-8(2)16-12(13(11)17)9-6-4-5-7-10(9)15/h4-7,16-17H,3H2,1-2H3
InChIKeyTYITVUNIZWPEJL-UHFFFAOYSA-N
MW263.27 g/mol
LogP3.01
Rot. Bonds3

About ethyl 5-(2-fluorophenyl)-4-hydroxy-2-methyl-1H-pyrrole-3-carboxylate

ethyl 5-(2-fluorophenyl)-4-hydroxy-2-methyl-1H-pyrrole-3-carboxylate (PubChem CID 127242377) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is ethyl 5-(2-fluorophenyl)-4-hydroxy-2-methyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-fluorophenyl)-4-hydroxy-2-methyl-1H-pyrrole-3-carboxylate
PubChem CID127242377
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Nameethyl 5-(2-fluorophenyl)-4-hydroxy-2-methyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(-c2ccccc2F)c1O
InChIInChI=1S/C14H14FNO3/c1-3-19-14(18)11-8(2)16-12(13(11)17)9-6-4-5-7-10(9)15/h4-7,16-17H,3H2,1-2H3
InChIKeyTYITVUNIZWPEJL-UHFFFAOYSA-N
XLogP3.01
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl 5-(2-fluorophenyl)-4-hydroxy-2-methyl-1H-pyrrole-3-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 ethyl 5-(2-fluorophenyl)-4-hydroxy-2-methyl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 5-(2-fluorophenyl)-4-hydroxy-2-methyl-1H-pyrrole-3-carboxylate (CID 127242377) is ethyl 5-(2-fluorophenyl)-4-hydroxy-2-methyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-fluorophenyl)-4-hydroxy-2-methyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 5-(2-fluorophenyl)-4-hydroxy-2-methyl-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(-c2ccccc2F)c1O.
What is the InChIKey of ethyl 5-(2-fluorophenyl)-4-hydroxy-2-methyl-1H-pyrrole-3-carboxylate?
The InChIKey is TYITVUNIZWPEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-3-19-14(18)11-8(2)16-12(13(11)17)9-6-4-5-7-10(9)15/h4-7,16-17H,3H2,1-2H3.
What are the key properties of ethyl 5-(2-fluorophenyl)-4-hydroxy-2-methyl-1H-pyrrole-3-carboxylate?
ethyl 5-(2-fluorophenyl)-4-hydroxy-2-methyl-1H-pyrrole-3-carboxylate has a molecular weight of 263.27 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-fluorophenyl)-4-hydroxy-2-methyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 127242377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).