methyl 2-(5-fluoropyrimidin-2-yl)acetate

C7H7FN2O2 — CID 70701064

IUPACmethyl 2-(5-fluoropyrimidin-2-yl)acetate
SMILESCOC(=O)Cc1ncc(F)cn1
InChIInChI=1S/C7H7FN2O2/c1-12-7(11)2-6-9-3-5(8)4-10-6/h3-4H,2H2,1H3
InChIKeyJODHCGJCZNBUGB-UHFFFAOYSA-N
MW170.14 g/mol
LogP0.33
Rot. Bonds2

About methyl 2-(5-fluoropyrimidin-2-yl)acetate

methyl 2-(5-fluoropyrimidin-2-yl)acetate (PubChem CID 70701064) has the molecular formula C7H7FN2O2 and a molecular weight of 170.14 g/mol. Its IUPAC name is methyl 2-(5-fluoropyrimidin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-fluoropyrimidin-2-yl)acetate
PubChem CID70701064
Molecular FormulaC7H7FN2O2
Molecular Weight170.14 g/mol
Exact Mass170.05
IUPAC Namemethyl 2-(5-fluoropyrimidin-2-yl)acetate
SMILESCOC(=O)Cc1ncc(F)cn1
InChIInChI=1S/C7H7FN2O2/c1-12-7(11)2-6-9-3-5(8)4-10-6/h3-4H,2H2,1H3
InChIKeyJODHCGJCZNBUGB-UHFFFAOYSA-N
XLogP0.33
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-fluoropyrimidin-2-yl)acetate?
The IUPAC name of methyl 2-(5-fluoropyrimidin-2-yl)acetate (CID 70701064) is methyl 2-(5-fluoropyrimidin-2-yl)acetate.
What is the SMILES notation for methyl 2-(5-fluoropyrimidin-2-yl)acetate?
The canonical SMILES for methyl 2-(5-fluoropyrimidin-2-yl)acetate is COC(=O)Cc1ncc(F)cn1.
What is the InChIKey of methyl 2-(5-fluoropyrimidin-2-yl)acetate?
The InChIKey is JODHCGJCZNBUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O2/c1-12-7(11)2-6-9-3-5(8)4-10-6/h3-4H,2H2,1H3.
What are the key properties of methyl 2-(5-fluoropyrimidin-2-yl)acetate?
methyl 2-(5-fluoropyrimidin-2-yl)acetate has a molecular weight of 170.14 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-fluoropyrimidin-2-yl)acetate is sourced from PubChem (CID 70701064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).