methyl 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-hydroxyphenyl]ethenyl]pyridine-3-carboxylate

C22H18FNO4 — CID 58840959

IUPACmethyl 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-hydroxyphenyl]ethenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(/C=C/c2cc(O)cc(OCc3ccccc3F)c2)nc1
InChIInChI=1S/C22H18FNO4/c1-27-22(26)16-7-9-18(24-13-16)8-6-15-10-19(25)12-20(11-15)28-14-17-4-2-3-5-21(17)23/h2-13,25H,14H2,1H3/b8-6+
InChIKeyBKJZQIWKLMSWHI-SOFGYWHQSA-N
MW379.39 g/mol
LogP4.46
Rot. Bonds6

About methyl 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-hydroxyphenyl]ethenyl]pyridine-3-carboxylate

methyl 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-hydroxyphenyl]ethenyl]pyridine-3-carboxylate (PubChem CID 58840959) has the molecular formula C22H18FNO4 and a molecular weight of 379.39 g/mol. Its IUPAC name is methyl 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-hydroxyphenyl]ethenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-hydroxyphenyl]ethenyl]pyridine-3-carboxylate
PubChem CID58840959
Molecular FormulaC22H18FNO4
Molecular Weight379.39 g/mol
Exact Mass379.12
IUPAC Namemethyl 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-hydroxyphenyl]ethenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(/C=C/c2cc(O)cc(OCc3ccccc3F)c2)nc1
InChIInChI=1S/C22H18FNO4/c1-27-22(26)16-7-9-18(24-13-16)8-6-15-10-19(25)12-20(11-15)28-14-17-4-2-3-5-21(17)23/h2-13,25H,14H2,1H3/b8-6+
InChIKeyBKJZQIWKLMSWHI-SOFGYWHQSA-N
XLogP4.46
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-hydroxyphenyl]ethenyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-hydroxyphenyl]ethenyl]pyridine-3-carboxylate (CID 58840959) is methyl 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-hydroxyphenyl]ethenyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-hydroxyphenyl]ethenyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-hydroxyphenyl]ethenyl]pyridine-3-carboxylate is COC(=O)c1ccc(/C=C/c2cc(O)cc(OCc3ccccc3F)c2)nc1.
What is the InChIKey of methyl 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-hydroxyphenyl]ethenyl]pyridine-3-carboxylate?
The InChIKey is BKJZQIWKLMSWHI-SOFGYWHQSA-N. The full InChI is InChI=1S/C22H18FNO4/c1-27-22(26)16-7-9-18(24-13-16)8-6-15-10-19(25)12-20(11-15)28-14-17-4-2-3-5-21(17)23/h2-13,25H,14H2,1H3/b8-6+.
What are the key properties of methyl 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-hydroxyphenyl]ethenyl]pyridine-3-carboxylate?
methyl 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-hydroxyphenyl]ethenyl]pyridine-3-carboxylate has a molecular weight of 379.39 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-hydroxyphenyl]ethenyl]pyridine-3-carboxylate is sourced from PubChem (CID 58840959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).