3-(3-fluoro-2-pyridinyl)butanoic acid

C9H10FNO2 — CID 83389251

IUPAC3-(3-fluoro-2-pyridinyl)butanoic acid
SMILESCC(CC(=O)O)c1ncccc1F
InChIInChI=1S/C9H10FNO2/c1-6(5-8(12)13)9-7(10)3-2-4-11-9/h2-4,6H,5H2,1H3,(H,12,13)
InChIKeySZTWJPNHJNOAAB-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.80
Rot. Bonds3

About 3-(3-fluoro-2-pyridinyl)butanoic acid

3-(3-fluoro-2-pyridinyl)butanoic acid (PubChem CID 83389251) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 3-(3-fluoro-2-pyridinyl)butanoic acid.

Molecular Properties

Compound Name3-(3-fluoro-2-pyridinyl)butanoic acid
PubChem CID83389251
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name3-(3-fluoro-2-pyridinyl)butanoic acid
SMILESCC(CC(=O)O)c1ncccc1F
InChIInChI=1S/C9H10FNO2/c1-6(5-8(12)13)9-7(10)3-2-4-11-9/h2-4,6H,5H2,1H3,(H,12,13)
InChIKeySZTWJPNHJNOAAB-UHFFFAOYSA-N
XLogP1.80
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2-pyridinyl)butanoic acid?
The IUPAC name of 3-(3-fluoro-2-pyridinyl)butanoic acid (CID 83389251) is 3-(3-fluoro-2-pyridinyl)butanoic acid.
What is the SMILES notation for 3-(3-fluoro-2-pyridinyl)butanoic acid?
The canonical SMILES for 3-(3-fluoro-2-pyridinyl)butanoic acid is CC(CC(=O)O)c1ncccc1F.
What is the InChIKey of 3-(3-fluoro-2-pyridinyl)butanoic acid?
The InChIKey is SZTWJPNHJNOAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-6(5-8(12)13)9-7(10)3-2-4-11-9/h2-4,6H,5H2,1H3,(H,12,13).
What are the key properties of 3-(3-fluoro-2-pyridinyl)butanoic acid?
3-(3-fluoro-2-pyridinyl)butanoic acid has a molecular weight of 183.18 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2-pyridinyl)butanoic acid is sourced from PubChem (CID 83389251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).