ethyl 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrole-2-carboxylate

C18H15FN2O2 — CID 59988458

IUPACethyl 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C18H15FN2O2/c1-2-23-18(22)17-16(13-7-9-20-10-8-13)15(11-21-17)12-3-5-14(19)6-4-12/h3-11,21H,2H2,1H3
InChIKeyWWAJHVWYNBXSCI-UHFFFAOYSA-N
MW310.33 g/mol
LogP4.06
Rot. Bonds4

About ethyl 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrole-2-carboxylate

ethyl 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrole-2-carboxylate (PubChem CID 59988458) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrole-2-carboxylate
PubChem CID59988458
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Nameethyl 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C18H15FN2O2/c1-2-23-18(22)17-16(13-7-9-20-10-8-13)15(11-21-17)12-3-5-14(19)6-4-12/h3-11,21H,2H2,1H3
InChIKeyWWAJHVWYNBXSCI-UHFFFAOYSA-N
XLogP4.06
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3,4-bis(4-fluorophenyl)-1H-pyrrole-2-carboxylate
CID 14498216
ethyl 3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 59988452
ethyl 2-amino-4-(4-fluorophenyl)-5-pyridin-4-ylthiophene-3-carboxylate
CID 139906318
4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-amine
CID 59988410
ethyl 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 137331754
diethyl 3-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2,4-dicarboxylate
CID 122228258
ethyl 2-fluoro-3,6-dipyridin-4-ylbenzoate
CID 46317978
ethyl 5-(4-fluorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxylate
CID 90717630
lithium;alumane;[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methanol;hydride
CID 158782933
2-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl-methylamino]ethanol
CID 59988419
diethyl 3,6-bis(4-fluorophenyl)thieno[3,2-b]thiophene-2,5-dicarboxylate
CID 134386122
ethyl 4-methyl-2-pyridin-4-yl-1H-pyrrole-3-carboxylate
CID 134861602

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrole-2-carboxylate (CID 59988458) is ethyl 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]cc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrole-2-carboxylate?
The InChIKey is WWAJHVWYNBXSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-2-23-18(22)17-16(13-7-9-20-10-8-13)15(11-21-17)12-3-5-14(19)6-4-12/h3-11,21H,2H2,1H3.
What are the key properties of ethyl 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrole-2-carboxylate?
ethyl 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrole-2-carboxylate has a molecular weight of 310.33 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 59988458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).