(2,3-difluoro-4-pyridinyl) butanoate

C9H9F2NO2 — CID 70080810

IUPAC(2,3-difluoro-4-pyridinyl) butanoate
SMILESCCCC(=O)Oc1ccnc(F)c1F
InChIInChI=1S/C9H9F2NO2/c1-2-3-7(13)14-6-4-5-12-9(11)8(6)10/h4-5H,2-3H2,1H3
InChIKeyGAHNAUZYANYKDP-UHFFFAOYSA-N
MW201.17 g/mol
LogP2.07
Rot. Bonds3

About (2,3-difluoro-4-pyridinyl) butanoate

(2,3-difluoro-4-pyridinyl) butanoate (PubChem CID 70080810) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is (2,3-difluoro-4-pyridinyl) butanoate.

Molecular Properties

Compound Name(2,3-difluoro-4-pyridinyl) butanoate
PubChem CID70080810
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name(2,3-difluoro-4-pyridinyl) butanoate
SMILESCCCC(=O)Oc1ccnc(F)c1F
InChIInChI=1S/C9H9F2NO2/c1-2-3-7(13)14-6-4-5-12-9(11)8(6)10/h4-5H,2-3H2,1H3
InChIKeyGAHNAUZYANYKDP-UHFFFAOYSA-N
XLogP2.07
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-pyridinyl) butanoate?
The IUPAC name of (2,3-difluoro-4-pyridinyl) butanoate (CID 70080810) is (2,3-difluoro-4-pyridinyl) butanoate.
What is the SMILES notation for (2,3-difluoro-4-pyridinyl) butanoate?
The canonical SMILES for (2,3-difluoro-4-pyridinyl) butanoate is CCCC(=O)Oc1ccnc(F)c1F.
What is the InChIKey of (2,3-difluoro-4-pyridinyl) butanoate?
The InChIKey is GAHNAUZYANYKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-2-3-7(13)14-6-4-5-12-9(11)8(6)10/h4-5H,2-3H2,1H3.
What are the key properties of (2,3-difluoro-4-pyridinyl) butanoate?
(2,3-difluoro-4-pyridinyl) butanoate has a molecular weight of 201.17 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-pyridinyl) butanoate is sourced from PubChem (CID 70080810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).