2-[(6-amino-3-fluoro-5-methoxycarbonyl-2-pyridinyl)oxy]acetic acid

C9H9FN2O5 — CID 68937381

IUPAC2-[(6-amino-3-fluoro-5-methoxycarbonyl-2-pyridinyl)oxy]acetic acid
SMILESCOC(=O)c1cc(F)c(OCC(=O)O)nc1N
InChIInChI=1S/C9H9FN2O5/c1-16-9(15)4-2-5(10)8(12-7(4)11)17-3-6(13)14/h2H,3H2,1H3,(H2,11,12)(H,13,14)
InChIKeyPBOBFTDEKUYJRE-UHFFFAOYSA-N
MW244.18 g/mol
LogP0.05
Rot. Bonds4

About 2-[(6-amino-3-fluoro-5-methoxycarbonyl-2-pyridinyl)oxy]acetic acid

2-[(6-amino-3-fluoro-5-methoxycarbonyl-2-pyridinyl)oxy]acetic acid (PubChem CID 68937381) has the molecular formula C9H9FN2O5 and a molecular weight of 244.18 g/mol. Its IUPAC name is 2-[(6-amino-3-fluoro-5-methoxycarbonyl-2-pyridinyl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(6-amino-3-fluoro-5-methoxycarbonyl-2-pyridinyl)oxy]acetic acid
PubChem CID68937381
Molecular FormulaC9H9FN2O5
Molecular Weight244.18 g/mol
Exact Mass244.05
IUPAC Name2-[(6-amino-3-fluoro-5-methoxycarbonyl-2-pyridinyl)oxy]acetic acid
SMILESCOC(=O)c1cc(F)c(OCC(=O)O)nc1N
InChIInChI=1S/C9H9FN2O5/c1-16-9(15)4-2-5(10)8(12-7(4)11)17-3-6(13)14/h2H,3H2,1H3,(H2,11,12)(H,13,14)
InChIKeyPBOBFTDEKUYJRE-UHFFFAOYSA-N
XLogP0.05
TPSA111.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-fluoro-5-methoxycarbonyl-2-pyridinyl)oxy]acetic acid?
The IUPAC name of 2-[(6-amino-3-fluoro-5-methoxycarbonyl-2-pyridinyl)oxy]acetic acid (CID 68937381) is 2-[(6-amino-3-fluoro-5-methoxycarbonyl-2-pyridinyl)oxy]acetic acid.
What is the SMILES notation for 2-[(6-amino-3-fluoro-5-methoxycarbonyl-2-pyridinyl)oxy]acetic acid?
The canonical SMILES for 2-[(6-amino-3-fluoro-5-methoxycarbonyl-2-pyridinyl)oxy]acetic acid is COC(=O)c1cc(F)c(OCC(=O)O)nc1N.
What is the InChIKey of 2-[(6-amino-3-fluoro-5-methoxycarbonyl-2-pyridinyl)oxy]acetic acid?
The InChIKey is PBOBFTDEKUYJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O5/c1-16-9(15)4-2-5(10)8(12-7(4)11)17-3-6(13)14/h2H,3H2,1H3,(H2,11,12)(H,13,14).
What are the key properties of 2-[(6-amino-3-fluoro-5-methoxycarbonyl-2-pyridinyl)oxy]acetic acid?
2-[(6-amino-3-fluoro-5-methoxycarbonyl-2-pyridinyl)oxy]acetic acid has a molecular weight of 244.18 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-fluoro-5-methoxycarbonyl-2-pyridinyl)oxy]acetic acid is sourced from PubChem (CID 68937381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).