methyl 4-ethenyl-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate

C21H16FNO2 — CID 66799651

IUPACmethyl 4-ethenyl-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate
SMILESC=Cc1cc(C(=O)OC)nc(-c2ccc(-c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C21H16FNO2/c1-3-14-12-19(23-20(13-14)21(24)25-2)17-6-4-15(5-7-17)16-8-10-18(22)11-9-16/h3-13H,1H2,2H3
InChIKeyFVXLRFAUGODOTM-UHFFFAOYSA-N
MW333.36 g/mol
LogP4.98
Rot. Bonds4

About methyl 4-ethenyl-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate

methyl 4-ethenyl-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate (PubChem CID 66799651) has the molecular formula C21H16FNO2 and a molecular weight of 333.36 g/mol. Its IUPAC name is methyl 4-ethenyl-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethenyl-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate
PubChem CID66799651
Molecular FormulaC21H16FNO2
Molecular Weight333.36 g/mol
Exact Mass333.12
IUPAC Namemethyl 4-ethenyl-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate
SMILESC=Cc1cc(C(=O)OC)nc(-c2ccc(-c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C21H16FNO2/c1-3-14-12-19(23-20(13-14)21(24)25-2)17-6-4-15(5-7-17)16-8-10-18(22)11-9-16/h3-13H,1H2,2H3
InChIKeyFVXLRFAUGODOTM-UHFFFAOYSA-N
XLogP4.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-ethenyl-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-ethenyl-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate (CID 66799651) is methyl 4-ethenyl-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-ethenyl-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-ethenyl-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate is C=Cc1cc(C(=O)OC)nc(-c2ccc(-c3ccc(F)cc3)cc2)c1.
What is the InChIKey of methyl 4-ethenyl-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate?
The InChIKey is FVXLRFAUGODOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO2/c1-3-14-12-19(23-20(13-14)21(24)25-2)17-6-4-15(5-7-17)16-8-10-18(22)11-9-16/h3-13H,1H2,2H3.
What are the key properties of methyl 4-ethenyl-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate?
methyl 4-ethenyl-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate has a molecular weight of 333.36 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethenyl-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 66799651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).