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

C15H22FNO2 — CID 172739613

IUPAC2-(2-fluoro-3-pyridinyl)decanoic acid
SMILESCCCCCCCCC(C(=O)O)c1cccnc1F
InChIInChI=1S/C15H22FNO2/c1-2-3-4-5-6-7-9-13(15(18)19)12-10-8-11-17-14(12)16/h8,10-11,13H,2-7,9H2,1H3,(H,18,19)
InChIKeyIXLLTQORMFZOAB-UHFFFAOYSA-N
MW267.34 g/mol
LogP4.14
Rot. Bonds9

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

2-(2-fluoro-3-pyridinyl)decanoic acid (PubChem CID 172739613) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-(2-fluoro-3-pyridinyl)decanoic acid.

Molecular Properties

Compound Name2-(2-fluoro-3-pyridinyl)decanoic acid
PubChem CID172739613
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name2-(2-fluoro-3-pyridinyl)decanoic acid
SMILESCCCCCCCCC(C(=O)O)c1cccnc1F
InChIInChI=1S/C15H22FNO2/c1-2-3-4-5-6-7-9-13(15(18)19)12-10-8-11-17-14(12)16/h8,10-11,13H,2-7,9H2,1H3,(H,18,19)
InChIKeyIXLLTQORMFZOAB-UHFFFAOYSA-N
XLogP4.14
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-pyridinyl)decanoic acid?
The IUPAC name of 2-(2-fluoro-3-pyridinyl)decanoic acid (CID 172739613) is 2-(2-fluoro-3-pyridinyl)decanoic acid.
What is the SMILES notation for 2-(2-fluoro-3-pyridinyl)decanoic acid?
The canonical SMILES for 2-(2-fluoro-3-pyridinyl)decanoic acid is CCCCCCCCC(C(=O)O)c1cccnc1F.
What is the InChIKey of 2-(2-fluoro-3-pyridinyl)decanoic acid?
The InChIKey is IXLLTQORMFZOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-2-3-4-5-6-7-9-13(15(18)19)12-10-8-11-17-14(12)16/h8,10-11,13H,2-7,9H2,1H3,(H,18,19).
What are the key properties of 2-(2-fluoro-3-pyridinyl)decanoic acid?
2-(2-fluoro-3-pyridinyl)decanoic acid has a molecular weight of 267.34 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-pyridinyl)decanoic acid is sourced from PubChem (CID 172739613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).