2-(5-fluoro-2-pyridin-3-yl-4-pyridinyl)acetic acid

C12H9FN2O2 — CID 131869932

IUPAC2-(5-fluoro-2-pyridin-3-yl-4-pyridinyl)acetic acid
SMILESO=C(O)Cc1cc(-c2cccnc2)ncc1F
InChIInChI=1S/C12H9FN2O2/c13-10-7-15-11(4-9(10)5-12(16)17)8-2-1-3-14-6-8/h1-4,6-7H,5H2,(H,16,17)
InChIKeyBZFXSXCELPKUER-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.91
Rot. Bonds3

About 2-(5-fluoro-2-pyridin-3-yl-4-pyridinyl)acetic acid

2-(5-fluoro-2-pyridin-3-yl-4-pyridinyl)acetic acid (PubChem CID 131869932) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridin-3-yl-4-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridin-3-yl-4-pyridinyl)acetic acid
PubChem CID131869932
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name2-(5-fluoro-2-pyridin-3-yl-4-pyridinyl)acetic acid
SMILESO=C(O)Cc1cc(-c2cccnc2)ncc1F
InChIInChI=1S/C12H9FN2O2/c13-10-7-15-11(4-9(10)5-12(16)17)8-2-1-3-14-6-8/h1-4,6-7H,5H2,(H,16,17)
InChIKeyBZFXSXCELPKUER-UHFFFAOYSA-N
XLogP1.91
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-fluoro-2-pyridin-3-yl-4-pyridinyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(chloromethyl)-5-fluoro-2-pyridin-3-ylpyridine
CID 118822538
2-(2-fluoro-5-pyridin-3-ylphenyl)acetic acid
CID 46315790
2-(5-fluoro-6-pyridin-3-yl-3-pyridinyl)acetic acid
CID 131869928
2-(3-fluoro-2-pyridin-3-ylphenyl)acetic acid
CID 46315774
2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetic acid
CID 82282715
2-(5-fluoro-6-pyridin-3-yl-2-pyridinyl)acetic acid
CID 131870101
2-(6-pyridin-3-yl-2-pyridinyl)acetic acid
CID 46316923
2-(2-chloro-5-pyridin-3-ylphenyl)acetic acid
CID 166638918
2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82286214
7-fluoro-3-pyridin-3-ylisoquinoline
CID 25058388
2-(6-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid
CID 3290134
(4,5-difluoro-2-pyridin-3-ylphenyl)methanol
CID 141349558

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridin-3-yl-4-pyridinyl)acetic acid?
The IUPAC name of 2-(5-fluoro-2-pyridin-3-yl-4-pyridinyl)acetic acid (CID 131869932) is 2-(5-fluoro-2-pyridin-3-yl-4-pyridinyl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-2-pyridin-3-yl-4-pyridinyl)acetic acid?
The canonical SMILES for 2-(5-fluoro-2-pyridin-3-yl-4-pyridinyl)acetic acid is O=C(O)Cc1cc(-c2cccnc2)ncc1F.
What is the InChIKey of 2-(5-fluoro-2-pyridin-3-yl-4-pyridinyl)acetic acid?
The InChIKey is BZFXSXCELPKUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c13-10-7-15-11(4-9(10)5-12(16)17)8-2-1-3-14-6-8/h1-4,6-7H,5H2,(H,16,17).
What are the key properties of 2-(5-fluoro-2-pyridin-3-yl-4-pyridinyl)acetic acid?
2-(5-fluoro-2-pyridin-3-yl-4-pyridinyl)acetic acid has a molecular weight of 232.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridin-3-yl-4-pyridinyl)acetic acid is sourced from PubChem (CID 131869932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).