5-fluoro-2-(4-propa-1,2-dienylphenyl)pyrimidine

C13H9FN2 — CID 90769259

IUPAC5-fluoro-2-(4-propa-1,2-dienylphenyl)pyrimidine
SMILESC=C=Cc1ccc(-c2ncc(F)cn2)cc1
InChIInChI=1S/C13H9FN2/c1-2-3-10-4-6-11(7-5-10)13-15-8-12(14)9-16-13/h3-9H,1H2
InChIKeyQPFMMOJHBIQZOA-UHFFFAOYSA-N
MW212.23 g/mol
LogP3.08
Rot. Bonds2

About 5-fluoro-2-(4-propa-1,2-dienylphenyl)pyrimidine

5-fluoro-2-(4-propa-1,2-dienylphenyl)pyrimidine (PubChem CID 90769259) has the molecular formula C13H9FN2 and a molecular weight of 212.23 g/mol. Its IUPAC name is 5-fluoro-2-(4-propa-1,2-dienylphenyl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(4-propa-1,2-dienylphenyl)pyrimidine
PubChem CID90769259
Molecular FormulaC13H9FN2
Molecular Weight212.23 g/mol
Exact Mass212.07
IUPAC Name5-fluoro-2-(4-propa-1,2-dienylphenyl)pyrimidine
SMILESC=C=Cc1ccc(-c2ncc(F)cn2)cc1
InChIInChI=1S/C13H9FN2/c1-2-3-10-4-6-11(7-5-10)13-15-8-12(14)9-16-13/h3-9H,1H2
InChIKeyQPFMMOJHBIQZOA-UHFFFAOYSA-N
XLogP3.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-propa-1,2-dienylphenyl)pyrimidine?
The IUPAC name of 5-fluoro-2-(4-propa-1,2-dienylphenyl)pyrimidine (CID 90769259) is 5-fluoro-2-(4-propa-1,2-dienylphenyl)pyrimidine.
What is the SMILES notation for 5-fluoro-2-(4-propa-1,2-dienylphenyl)pyrimidine?
The canonical SMILES for 5-fluoro-2-(4-propa-1,2-dienylphenyl)pyrimidine is C=C=Cc1ccc(-c2ncc(F)cn2)cc1.
What is the InChIKey of 5-fluoro-2-(4-propa-1,2-dienylphenyl)pyrimidine?
The InChIKey is QPFMMOJHBIQZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2/c1-2-3-10-4-6-11(7-5-10)13-15-8-12(14)9-16-13/h3-9H,1H2.
What are the key properties of 5-fluoro-2-(4-propa-1,2-dienylphenyl)pyrimidine?
5-fluoro-2-(4-propa-1,2-dienylphenyl)pyrimidine has a molecular weight of 212.23 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-propa-1,2-dienylphenyl)pyrimidine is sourced from PubChem (CID 90769259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).