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

C26H20ClFN2O2 — CID 25110894

IUPACethyl 2-(4-chloroanilino)-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1Nc1ccc(Cl)cc1
InChIInChI=1S/C26H20ClFN2O2/c1-2-32-26(31)24-22(17-8-12-20(28)13-9-17)16-23(18-6-4-3-5-7-18)30-25(24)29-21-14-10-19(27)11-15-21/h3-16H,2H2,1H3,(H,29,30)
InChIKeyVFELWQSSEMKALL-UHFFFAOYSA-N
MW446.91 g/mol
LogP7.13
Rot. Bonds6

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

ethyl 2-(4-chloroanilino)-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate (PubChem CID 25110894) has the molecular formula C26H20ClFN2O2 and a molecular weight of 446.91 g/mol. Its IUPAC name is ethyl 2-(4-chloroanilino)-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-chloroanilino)-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate
PubChem CID25110894
Molecular FormulaC26H20ClFN2O2
Molecular Weight446.91 g/mol
Exact Mass446.12
IUPAC Nameethyl 2-(4-chloroanilino)-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1Nc1ccc(Cl)cc1
InChIInChI=1S/C26H20ClFN2O2/c1-2-32-26(31)24-22(17-8-12-20(28)13-9-17)16-23(18-6-4-3-5-7-18)30-25(24)29-21-14-10-19(27)11-15-21/h3-16H,2H2,1H3,(H,29,30)
InChIKeyVFELWQSSEMKALL-UHFFFAOYSA-N
XLogP7.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.91
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Benzyl-ethyl-amino)-4-phenyl-quinoline-3-carboxylic acid ethyl ester
CID 15669491
Ethyl 4-{2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-YL]acetamido}benzoate
CID 16024551
Ethyl 5-amino-4-(4-chlorophenyl)-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate
CID 44445179
Ethyl 4-(3,4-dichlorophenyl)-2-(4-methylanilino)-6-phenylpyridine-3-carboxylate
CID 11282954
Ethyl 4-(4-chlorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate
CID 11475732
Ethyl 4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyridine-3-carboxylate
CID 57391634
Ethyl 2-(4-chloroanilino)-4-(4-chlorophenyl)-6-phenylpyridine-3-carboxylate
CID 57393375
Ethyl 4-(3,4-dichlorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate
CID 57395092
Ethyl 2-anilino-4-(4-chlorophenyl)-6-phenylpyridine-3-carboxylate
CID 57395093
Ethyl 4-(4-chlorophenyl)-2-(4-methylanilino)-6-phenylpyridine-3-carboxylate
CID 57395094
Ethyl 4-(4-chlorophenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate
CID 57396864
Ethyl 2-(4-chloroanilino)-4-(3,4-dichlorophenyl)-6-phenylpyridine-3-carboxylate
CID 57398628

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloroanilino)-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-(4-chloroanilino)-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate (CID 25110894) is ethyl 2-(4-chloroanilino)-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-chloroanilino)-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(4-chloroanilino)-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1Nc1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-(4-chloroanilino)-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate?
The InChIKey is VFELWQSSEMKALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN2O2/c1-2-32-26(31)24-22(17-8-12-20(28)13-9-17)16-23(18-6-4-3-5-7-18)30-25(24)29-21-14-10-19(27)11-15-21/h3-16H,2H2,1H3,(H,29,30).
What are the key properties of ethyl 2-(4-chloroanilino)-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate?
ethyl 2-(4-chloroanilino)-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate has a molecular weight of 446.91 g/mol, XLogP of 7.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloroanilino)-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate is sourced from PubChem (CID 25110894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).