methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate

C8H9FN2O2 — CID 61312351

IUPACmethyl 2-[(5-fluoro-2-pyridinyl)amino]acetate
SMILESCOC(=O)CNc1ccc(F)cn1
InChIInChI=1S/C8H9FN2O2/c1-13-8(12)5-11-7-3-2-6(9)4-10-7/h2-4H,5H2,1H3,(H,10,11)
InChIKeyMYWJPZSFBQNZPW-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.81
Rot. Bonds3

About methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate

methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate (PubChem CID 61312351) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-fluoro-2-pyridinyl)amino]acetate
PubChem CID61312351
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Namemethyl 2-[(5-fluoro-2-pyridinyl)amino]acetate
SMILESCOC(=O)CNc1ccc(F)cn1
InChIInChI=1S/C8H9FN2O2/c1-13-8(12)5-11-7-3-2-6(9)4-10-7/h2-4H,5H2,1H3,(H,10,11)
InChIKeyMYWJPZSFBQNZPW-UHFFFAOYSA-N
XLogP0.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate?
The IUPAC name of methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate (CID 61312351) is methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate?
The canonical SMILES for methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate is COC(=O)CNc1ccc(F)cn1.
What is the InChIKey of methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate?
The InChIKey is MYWJPZSFBQNZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-13-8(12)5-11-7-3-2-6(9)4-10-7/h2-4H,5H2,1H3,(H,10,11).
What are the key properties of methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate?
methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate has a molecular weight of 184.17 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate is sourced from PubChem (CID 61312351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).