2-(5-fluoro-2-pyridinyl)acetic acid

C7H6FNO2 — CID 55267809

IUPAC2-(5-fluoro-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1ccc(F)cn1
InChIInChI=1S/C7H6FNO2/c8-5-1-2-6(9-4-5)3-7(10)11/h1-2,4H,3H2,(H,10,11)
InChIKeyGNZVAIZIJBXHHD-UHFFFAOYSA-N
MW155.13 g/mol
LogP0.85
Rot. Bonds2

About 2-(5-fluoro-2-pyridinyl)acetic acid

2-(5-fluoro-2-pyridinyl)acetic acid (PubChem CID 55267809) has the molecular formula C7H6FNO2 and a molecular weight of 155.13 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)acetic acid
PubChem CID55267809
Molecular FormulaC7H6FNO2
Molecular Weight155.13 g/mol
Exact Mass155.04
IUPAC Name2-(5-fluoro-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1ccc(F)cn1
InChIInChI=1S/C7H6FNO2/c8-5-1-2-6(9-4-5)3-7(10)11/h1-2,4H,3H2,(H,10,11)
InChIKeyGNZVAIZIJBXHHD-UHFFFAOYSA-N
XLogP0.85
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.13
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)acetic acid?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)acetic acid (CID 55267809) is 2-(5-fluoro-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)acetic acid is O=C(O)Cc1ccc(F)cn1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)acetic acid?
The InChIKey is GNZVAIZIJBXHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO2/c8-5-1-2-6(9-4-5)3-7(10)11/h1-2,4H,3H2,(H,10,11).
What are the key properties of 2-(5-fluoro-2-pyridinyl)acetic acid?
2-(5-fluoro-2-pyridinyl)acetic acid has a molecular weight of 155.13 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)acetic acid is sourced from PubChem (CID 55267809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).