2-(5-fluoro-6-pyridin-3-yl-3-pyridinyl)acetic acid

C12H9FN2O2 — CID 131869928

IUPAC2-(5-fluoro-6-pyridin-3-yl-3-pyridinyl)acetic acid
SMILESO=C(O)Cc1cnc(-c2cccnc2)c(F)c1
InChIInChI=1S/C12H9FN2O2/c13-10-4-8(5-11(16)17)6-15-12(10)9-2-1-3-14-7-9/h1-4,6-7H,5H2,(H,16,17)
InChIKeyDPYSEHUBDTUVBA-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.91
Rot. Bonds3

About 2-(5-fluoro-6-pyridin-3-yl-3-pyridinyl)acetic acid

2-(5-fluoro-6-pyridin-3-yl-3-pyridinyl)acetic acid (PubChem CID 131869928) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 2-(5-fluoro-6-pyridin-3-yl-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-6-pyridin-3-yl-3-pyridinyl)acetic acid
PubChem CID131869928
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name2-(5-fluoro-6-pyridin-3-yl-3-pyridinyl)acetic acid
SMILESO=C(O)Cc1cnc(-c2cccnc2)c(F)c1
InChIInChI=1S/C12H9FN2O2/c13-10-4-8(5-11(16)17)6-15-12(10)9-2-1-3-14-7-9/h1-4,6-7H,5H2,(H,16,17)
InChIKeyDPYSEHUBDTUVBA-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

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Related Compounds

2-(5-fluoro-2-pyridin-3-yl-4-pyridinyl)acetic acid
CID 131869932
ethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate
CID 46317855
2-(3-fluoro-2-pyridin-3-ylphenyl)acetic acid
CID 46315774
2-(2-fluoro-5-pyridin-3-ylphenyl)acetic acid
CID 46315790
2-(5-fluoro-6-pyridin-3-yl-2-pyridinyl)acetic acid
CID 131870101
2-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]acetic acid
CID 131869835
CID 66868100
CID 66868100
2-(1,6-naphthyridin-3-yl)acetic acid
CID 84770667
lithium;hydride;2-pyridin-3-ylacetic acid
CID 173026035
5-methyl-2-pyridin-3-ylpyridine-3-carboxylic acid
CID 83917075
5-fluoro-2,3-dipyridin-3-ylpyridine
CID 46316529
2-(6-pyridin-3-yl-2-pyridinyl)acetic acid
CID 46316923

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-6-pyridin-3-yl-3-pyridinyl)acetic acid?
The IUPAC name of 2-(5-fluoro-6-pyridin-3-yl-3-pyridinyl)acetic acid (CID 131869928) is 2-(5-fluoro-6-pyridin-3-yl-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-6-pyridin-3-yl-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(5-fluoro-6-pyridin-3-yl-3-pyridinyl)acetic acid is O=C(O)Cc1cnc(-c2cccnc2)c(F)c1.
What is the InChIKey of 2-(5-fluoro-6-pyridin-3-yl-3-pyridinyl)acetic acid?
The InChIKey is DPYSEHUBDTUVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c13-10-4-8(5-11(16)17)6-15-12(10)9-2-1-3-14-7-9/h1-4,6-7H,5H2,(H,16,17).
What are the key properties of 2-(5-fluoro-6-pyridin-3-yl-3-pyridinyl)acetic acid?
2-(5-fluoro-6-pyridin-3-yl-3-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-6-pyridin-3-yl-3-pyridinyl)acetic acid is sourced from PubChem (CID 131869928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).