2-[(4-fluoro-1H-imidazol-5-yl)methoxy]acetic acid

C6H7FN2O3 — CID 19766349

IUPAC2-[(4-fluoro-1H-imidazol-5-yl)methoxy]acetic acid
SMILESO=C(O)COCc1[nH]cnc1F
InChIInChI=1S/C6H7FN2O3/c7-6-4(8-3-9-6)1-12-2-5(10)11/h3H,1-2H2,(H,8,9)(H,10,11)
InChIKeyKTERXLURBCETJS-UHFFFAOYSA-N
MW174.13 g/mol
LogP0.15
Rot. Bonds4

About 2-[(4-fluoro-1H-imidazol-5-yl)methoxy]acetic acid

2-[(4-fluoro-1H-imidazol-5-yl)methoxy]acetic acid (PubChem CID 19766349) has the molecular formula C6H7FN2O3 and a molecular weight of 174.13 g/mol. Its IUPAC name is 2-[(4-fluoro-1H-imidazol-5-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(4-fluoro-1H-imidazol-5-yl)methoxy]acetic acid
PubChem CID19766349
Molecular FormulaC6H7FN2O3
Molecular Weight174.13 g/mol
Exact Mass174.04
IUPAC Name2-[(4-fluoro-1H-imidazol-5-yl)methoxy]acetic acid
SMILESO=C(O)COCc1[nH]cnc1F
InChIInChI=1S/C6H7FN2O3/c7-6-4(8-3-9-6)1-12-2-5(10)11/h3H,1-2H2,(H,8,9)(H,10,11)
InChIKeyKTERXLURBCETJS-UHFFFAOYSA-N
XLogP0.15
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.13
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-1H-imidazol-5-yl)methoxy]acetic acid?
The IUPAC name of 2-[(4-fluoro-1H-imidazol-5-yl)methoxy]acetic acid (CID 19766349) is 2-[(4-fluoro-1H-imidazol-5-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(4-fluoro-1H-imidazol-5-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(4-fluoro-1H-imidazol-5-yl)methoxy]acetic acid is O=C(O)COCc1[nH]cnc1F.
What is the InChIKey of 2-[(4-fluoro-1H-imidazol-5-yl)methoxy]acetic acid?
The InChIKey is KTERXLURBCETJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O3/c7-6-4(8-3-9-6)1-12-2-5(10)11/h3H,1-2H2,(H,8,9)(H,10,11).
What are the key properties of 2-[(4-fluoro-1H-imidazol-5-yl)methoxy]acetic acid?
2-[(4-fluoro-1H-imidazol-5-yl)methoxy]acetic acid has a molecular weight of 174.13 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-1H-imidazol-5-yl)methoxy]acetic acid is sourced from PubChem (CID 19766349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).