2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxybenzoic acid

C13H8FN3O3 — CID 107677436

IUPAC2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxybenzoic acid
SMILESO=C(O)c1ccc(Oc2ccn3nccc3n2)cc1F
InChIInChI=1S/C13H8FN3O3/c14-10-7-8(1-2-9(10)13(18)19)20-12-4-6-17-11(16-12)3-5-15-17/h1-7H,(H,18,19)
InChIKeyMKRZZEWRUGJAML-UHFFFAOYSA-N
MW273.22 g/mol
LogP2.36
Rot. Bonds3

About 2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxybenzoic acid

2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxybenzoic acid (PubChem CID 107677436) has the molecular formula C13H8FN3O3 and a molecular weight of 273.22 g/mol. Its IUPAC name is 2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxybenzoic acid.

Molecular Properties

Compound Name2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxybenzoic acid
PubChem CID107677436
Molecular FormulaC13H8FN3O3
Molecular Weight273.22 g/mol
Exact Mass273.05
IUPAC Name2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxybenzoic acid
SMILESO=C(O)c1ccc(Oc2ccn3nccc3n2)cc1F
InChIInChI=1S/C13H8FN3O3/c14-10-7-8(1-2-9(10)13(18)19)20-12-4-6-17-11(16-12)3-5-15-17/h1-7H,(H,18,19)
InChIKeyMKRZZEWRUGJAML-UHFFFAOYSA-N
XLogP2.36
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxybenzoic acid?
The IUPAC name of 2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxybenzoic acid (CID 107677436) is 2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxybenzoic acid.
What is the SMILES notation for 2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxybenzoic acid?
The canonical SMILES for 2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxybenzoic acid is O=C(O)c1ccc(Oc2ccn3nccc3n2)cc1F.
What is the InChIKey of 2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxybenzoic acid?
The InChIKey is MKRZZEWRUGJAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O3/c14-10-7-8(1-2-9(10)13(18)19)20-12-4-6-17-11(16-12)3-5-15-17/h1-7H,(H,18,19).
What are the key properties of 2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxybenzoic acid?
2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxybenzoic acid has a molecular weight of 273.22 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxybenzoic acid is sourced from PubChem (CID 107677436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).