(E)-2-fluoro-3-(1-pyrazin-2-ylimidazol-4-yl)prop-2-en-1-ol

C10H9FN4O — CID 22630947

IUPAC(E)-2-fluoro-3-(1-pyrazin-2-ylimidazol-4-yl)prop-2-en-1-ol
SMILESOC/C(F)=C\c1cn(-c2cnccn2)cn1
InChIInChI=1S/C10H9FN4O/c11-8(6-16)3-9-5-15(7-14-9)10-4-12-1-2-13-10/h1-5,7,16H,6H2/b8-3+
InChIKeySKWWZJLEMAAOPA-FPYGCLRLSA-N
MW220.21 g/mol
LogP0.96
Rot. Bonds3

About (E)-2-fluoro-3-(1-pyrazin-2-ylimidazol-4-yl)prop-2-en-1-ol

(E)-2-fluoro-3-(1-pyrazin-2-ylimidazol-4-yl)prop-2-en-1-ol (PubChem CID 22630947) has the molecular formula C10H9FN4O and a molecular weight of 220.21 g/mol. Its IUPAC name is (E)-2-fluoro-3-(1-pyrazin-2-ylimidazol-4-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-fluoro-3-(1-pyrazin-2-ylimidazol-4-yl)prop-2-en-1-ol
PubChem CID22630947
Molecular FormulaC10H9FN4O
Molecular Weight220.21 g/mol
Exact Mass220.08
IUPAC Name(E)-2-fluoro-3-(1-pyrazin-2-ylimidazol-4-yl)prop-2-en-1-ol
SMILESOC/C(F)=C\c1cn(-c2cnccn2)cn1
InChIInChI=1S/C10H9FN4O/c11-8(6-16)3-9-5-15(7-14-9)10-4-12-1-2-13-10/h1-5,7,16H,6H2/b8-3+
InChIKeySKWWZJLEMAAOPA-FPYGCLRLSA-N
XLogP0.96
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-3-(1-pyrazin-2-ylimidazol-4-yl)prop-2-en-1-ol?
The IUPAC name of (E)-2-fluoro-3-(1-pyrazin-2-ylimidazol-4-yl)prop-2-en-1-ol (CID 22630947) is (E)-2-fluoro-3-(1-pyrazin-2-ylimidazol-4-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-2-fluoro-3-(1-pyrazin-2-ylimidazol-4-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-2-fluoro-3-(1-pyrazin-2-ylimidazol-4-yl)prop-2-en-1-ol is OC/C(F)=C\c1cn(-c2cnccn2)cn1.
What is the InChIKey of (E)-2-fluoro-3-(1-pyrazin-2-ylimidazol-4-yl)prop-2-en-1-ol?
The InChIKey is SKWWZJLEMAAOPA-FPYGCLRLSA-N. The full InChI is InChI=1S/C10H9FN4O/c11-8(6-16)3-9-5-15(7-14-9)10-4-12-1-2-13-10/h1-5,7,16H,6H2/b8-3+.
What are the key properties of (E)-2-fluoro-3-(1-pyrazin-2-ylimidazol-4-yl)prop-2-en-1-ol?
(E)-2-fluoro-3-(1-pyrazin-2-ylimidazol-4-yl)prop-2-en-1-ol has a molecular weight of 220.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-3-(1-pyrazin-2-ylimidazol-4-yl)prop-2-en-1-ol is sourced from PubChem (CID 22630947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).