methyl 2-(2-fluorophenyl)-2-[4-(5-methylpyrazin-2-yl)phenyl]acetate

C20H17FN2O2 — CID 130310615

IUPACmethyl 2-(2-fluorophenyl)-2-[4-(5-methylpyrazin-2-yl)phenyl]acetate
SMILESCOC(=O)C(c1ccc(-c2cnc(C)cn2)cc1)c1ccccc1F
InChIInChI=1S/C20H17FN2O2/c1-13-11-23-18(12-22-13)14-7-9-15(10-8-14)19(20(24)25-2)16-5-3-4-6-17(16)21/h3-12,19H,1-2H3
InChIKeyKBRJDRLTZPZOQT-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.90
Rot. Bonds4

About methyl 2-(2-fluorophenyl)-2-[4-(5-methylpyrazin-2-yl)phenyl]acetate

methyl 2-(2-fluorophenyl)-2-[4-(5-methylpyrazin-2-yl)phenyl]acetate (PubChem CID 130310615) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)-2-[4-(5-methylpyrazin-2-yl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)-2-[4-(5-methylpyrazin-2-yl)phenyl]acetate
PubChem CID130310615
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Namemethyl 2-(2-fluorophenyl)-2-[4-(5-methylpyrazin-2-yl)phenyl]acetate
SMILESCOC(=O)C(c1ccc(-c2cnc(C)cn2)cc1)c1ccccc1F
InChIInChI=1S/C20H17FN2O2/c1-13-11-23-18(12-22-13)14-7-9-15(10-8-14)19(20(24)25-2)16-5-3-4-6-17(16)21/h3-12,19H,1-2H3
InChIKeyKBRJDRLTZPZOQT-UHFFFAOYSA-N
XLogP3.90
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)-2-[4-(5-methylpyrazin-2-yl)phenyl]acetate?
The IUPAC name of methyl 2-(2-fluorophenyl)-2-[4-(5-methylpyrazin-2-yl)phenyl]acetate (CID 130310615) is methyl 2-(2-fluorophenyl)-2-[4-(5-methylpyrazin-2-yl)phenyl]acetate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)-2-[4-(5-methylpyrazin-2-yl)phenyl]acetate?
The canonical SMILES for methyl 2-(2-fluorophenyl)-2-[4-(5-methylpyrazin-2-yl)phenyl]acetate is COC(=O)C(c1ccc(-c2cnc(C)cn2)cc1)c1ccccc1F.
What is the InChIKey of methyl 2-(2-fluorophenyl)-2-[4-(5-methylpyrazin-2-yl)phenyl]acetate?
The InChIKey is KBRJDRLTZPZOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-13-11-23-18(12-22-13)14-7-9-15(10-8-14)19(20(24)25-2)16-5-3-4-6-17(16)21/h3-12,19H,1-2H3.
What are the key properties of methyl 2-(2-fluorophenyl)-2-[4-(5-methylpyrazin-2-yl)phenyl]acetate?
methyl 2-(2-fluorophenyl)-2-[4-(5-methylpyrazin-2-yl)phenyl]acetate has a molecular weight of 336.37 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluorophenyl)-2-[4-(5-methylpyrazin-2-yl)phenyl]acetate is sourced from PubChem (CID 130310615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).