ethyl 2-anilino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate

C26H21FN2O2 — CID 25110893

IUPACethyl 2-anilino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1Nc1ccccc1
InChIInChI=1S/C26H21FN2O2/c1-2-31-26(30)24-22(18-13-15-20(27)16-14-18)17-23(19-9-5-3-6-10-19)29-25(24)28-21-11-7-4-8-12-21/h3-17H,2H2,1H3,(H,28,29)
InChIKeyUGTFSBUCXKPSMC-UHFFFAOYSA-N
MW412.46 g/mol
LogP6.47
Rot. Bonds6

About ethyl 2-anilino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate

ethyl 2-anilino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate (PubChem CID 25110893) has the molecular formula C26H21FN2O2 and a molecular weight of 412.46 g/mol. Its IUPAC name is ethyl 2-anilino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-anilino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate
PubChem CID25110893
Molecular FormulaC26H21FN2O2
Molecular Weight412.46 g/mol
Exact Mass412.16
IUPAC Nameethyl 2-anilino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1Nc1ccccc1
InChIInChI=1S/C26H21FN2O2/c1-2-31-26(30)24-22(18-13-15-20(27)16-14-18)17-23(19-9-5-3-6-10-19)29-25(24)28-21-11-7-4-8-12-21/h3-17H,2H2,1H3,(H,28,29)
InChIKeyUGTFSBUCXKPSMC-UHFFFAOYSA-N
XLogP6.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.46
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-anilino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-anilino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate (CID 25110893) is ethyl 2-anilino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-anilino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-anilino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1Nc1ccccc1.
What is the InChIKey of ethyl 2-anilino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate?
The InChIKey is UGTFSBUCXKPSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O2/c1-2-31-26(30)24-22(18-13-15-20(27)16-14-18)17-23(19-9-5-3-6-10-19)29-25(24)28-21-11-7-4-8-12-21/h3-17H,2H2,1H3,(H,28,29).
What are the key properties of ethyl 2-anilino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate?
ethyl 2-anilino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate has a molecular weight of 412.46 g/mol, XLogP of 6.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-anilino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate is sourced from PubChem (CID 25110893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).