2-(5-bromo-3-fluoro-2-pyridinyl)acetic acid

C7H5BrFNO2 — CID 66968052

IUPAC2-(5-bromo-3-fluoro-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1ncc(Br)cc1F
InChIInChI=1S/C7H5BrFNO2/c8-4-1-5(9)6(10-3-4)2-7(11)12/h1,3H,2H2,(H,11,12)
InChIKeyDMXWVAZWKWWVRP-UHFFFAOYSA-N
MW234.02 g/mol
LogP1.61
Rot. Bonds2

About 2-(5-bromo-3-fluoro-2-pyridinyl)acetic acid

2-(5-bromo-3-fluoro-2-pyridinyl)acetic acid (PubChem CID 66968052) has the molecular formula C7H5BrFNO2 and a molecular weight of 234.02 g/mol. Its IUPAC name is 2-(5-bromo-3-fluoro-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-3-fluoro-2-pyridinyl)acetic acid
PubChem CID66968052
Molecular FormulaC7H5BrFNO2
Molecular Weight234.02 g/mol
Exact Mass232.95
IUPAC Name2-(5-bromo-3-fluoro-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1ncc(Br)cc1F
InChIInChI=1S/C7H5BrFNO2/c8-4-1-5(9)6(10-3-4)2-7(11)12/h1,3H,2H2,(H,11,12)
InChIKeyDMXWVAZWKWWVRP-UHFFFAOYSA-N
XLogP1.61
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.02
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-fluoro-2-pyridinyl)acetic acid?
The IUPAC name of 2-(5-bromo-3-fluoro-2-pyridinyl)acetic acid (CID 66968052) is 2-(5-bromo-3-fluoro-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(5-bromo-3-fluoro-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(5-bromo-3-fluoro-2-pyridinyl)acetic acid is O=C(O)Cc1ncc(Br)cc1F.
What is the InChIKey of 2-(5-bromo-3-fluoro-2-pyridinyl)acetic acid?
The InChIKey is DMXWVAZWKWWVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFNO2/c8-4-1-5(9)6(10-3-4)2-7(11)12/h1,3H,2H2,(H,11,12).
What are the key properties of 2-(5-bromo-3-fluoro-2-pyridinyl)acetic acid?
2-(5-bromo-3-fluoro-2-pyridinyl)acetic acid has a molecular weight of 234.02 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-fluoro-2-pyridinyl)acetic acid is sourced from PubChem (CID 66968052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).