6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyrazine-2-carboxylic acid

C16H13FN2O3 — CID 135979829

IUPAC6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(C2=C(c3cc(F)ccc3O)CCC2)n1
InChIInChI=1S/C16H13FN2O3/c17-9-4-5-15(20)12(6-9)10-2-1-3-11(10)13-7-18-8-14(19-13)16(21)22/h4-8,20H,1-3H2,(H,21,22)
InChIKeyIXIJOTQDENVYQG-UHFFFAOYSA-N
MW300.29 g/mol
LogP3.11
Rot. Bonds3

About 6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyrazine-2-carboxylic acid

6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyrazine-2-carboxylic acid (PubChem CID 135979829) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyrazine-2-carboxylic acid
PubChem CID135979829
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(C2=C(c3cc(F)ccc3O)CCC2)n1
InChIInChI=1S/C16H13FN2O3/c17-9-4-5-15(20)12(6-9)10-2-1-3-11(10)13-7-18-8-14(19-13)16(21)22/h4-8,20H,1-3H2,(H,21,22)
InChIKeyIXIJOTQDENVYQG-UHFFFAOYSA-N
XLogP3.11
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyrazine-2-carboxylic acid (CID 135979829) is 6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyrazine-2-carboxylic acid is O=C(O)c1cncc(C2=C(c3cc(F)ccc3O)CCC2)n1.
What is the InChIKey of 6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is IXIJOTQDENVYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c17-9-4-5-15(20)12(6-9)10-2-1-3-11(10)13-7-18-8-14(19-13)16(21)22/h4-8,20H,1-3H2,(H,21,22).
What are the key properties of 6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyrazine-2-carboxylic acid?
6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 300.29 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 135979829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).