3-fluoro-5-prop-2-enoxypyridin-2-amine

C8H9FN2O — CID 122599269

IUPAC3-fluoro-5-prop-2-enoxypyridin-2-amine
SMILESC=CCOc1cnc(N)c(F)c1
InChIInChI=1S/C8H9FN2O/c1-2-3-12-6-4-7(9)8(10)11-5-6/h2,4-5H,1,3H2,(H2,10,11)
InChIKeySTQFHCHGASVAKG-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.37
Rot. Bonds3

About 3-fluoro-5-prop-2-enoxypyridin-2-amine

3-fluoro-5-prop-2-enoxypyridin-2-amine (PubChem CID 122599269) has the molecular formula C8H9FN2O and a molecular weight of 168.17 g/mol. Its IUPAC name is 3-fluoro-5-prop-2-enoxypyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-5-prop-2-enoxypyridin-2-amine
PubChem CID122599269
Molecular FormulaC8H9FN2O
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC Name3-fluoro-5-prop-2-enoxypyridin-2-amine
SMILESC=CCOc1cnc(N)c(F)c1
InChIInChI=1S/C8H9FN2O/c1-2-3-12-6-4-7(9)8(10)11-5-6/h2,4-5H,1,3H2,(H2,10,11)
InChIKeySTQFHCHGASVAKG-UHFFFAOYSA-N
XLogP1.37
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-prop-2-enoxypyridin-2-amine?
The IUPAC name of 3-fluoro-5-prop-2-enoxypyridin-2-amine (CID 122599269) is 3-fluoro-5-prop-2-enoxypyridin-2-amine.
What is the SMILES notation for 3-fluoro-5-prop-2-enoxypyridin-2-amine?
The canonical SMILES for 3-fluoro-5-prop-2-enoxypyridin-2-amine is C=CCOc1cnc(N)c(F)c1.
What is the InChIKey of 3-fluoro-5-prop-2-enoxypyridin-2-amine?
The InChIKey is STQFHCHGASVAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O/c1-2-3-12-6-4-7(9)8(10)11-5-6/h2,4-5H,1,3H2,(H2,10,11).
What are the key properties of 3-fluoro-5-prop-2-enoxypyridin-2-amine?
3-fluoro-5-prop-2-enoxypyridin-2-amine has a molecular weight of 168.17 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-prop-2-enoxypyridin-2-amine is sourced from PubChem (CID 122599269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).