ethyl 6-(4-fluoroanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate

C22H19FN2O2 — CID 15652751

IUPACethyl 6-(4-fluoroanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(/C=C/c2ccccc2)c(Nc2ccc(F)cc2)n1
InChIInChI=1S/C22H19FN2O2/c1-2-27-22(26)20-15-10-17(9-8-16-6-4-3-5-7-16)21(25-20)24-19-13-11-18(23)12-14-19/h3-15H,2H2,1H3,(H,24,25)/b9-8+
InChIKeyQEPTXJJGZCLNLZ-CMDGGOBGSA-N
MW362.40 g/mol
LogP5.31
Rot. Bonds6

About ethyl 6-(4-fluoroanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate

ethyl 6-(4-fluoroanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate (PubChem CID 15652751) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is ethyl 6-(4-fluoroanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-fluoroanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate
PubChem CID15652751
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Nameethyl 6-(4-fluoroanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(/C=C/c2ccccc2)c(Nc2ccc(F)cc2)n1
InChIInChI=1S/C22H19FN2O2/c1-2-27-22(26)20-15-10-17(9-8-16-6-4-3-5-7-16)21(25-20)24-19-13-11-18(23)12-14-19/h3-15H,2H2,1H3,(H,24,25)/b9-8+
InChIKeyQEPTXJJGZCLNLZ-CMDGGOBGSA-N
XLogP5.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.40
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-fluoroanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(4-fluoroanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate (CID 15652751) is ethyl 6-(4-fluoroanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(4-fluoroanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(4-fluoroanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate is CCOC(=O)c1ccc(/C=C/c2ccccc2)c(Nc2ccc(F)cc2)n1.
What is the InChIKey of ethyl 6-(4-fluoroanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate?
The InChIKey is QEPTXJJGZCLNLZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C22H19FN2O2/c1-2-27-22(26)20-15-10-17(9-8-16-6-4-3-5-7-16)21(25-20)24-19-13-11-18(23)12-14-19/h3-15H,2H2,1H3,(H,24,25)/b9-8+.
What are the key properties of ethyl 6-(4-fluoroanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate?
ethyl 6-(4-fluoroanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate has a molecular weight of 362.40 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-fluoroanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate is sourced from PubChem (CID 15652751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).