(6-fluoro-2-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

C14H16FNO2 — CID 171943849

IUPAC(6-fluoro-2-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCc1nc(F)ccc1C(=O)C1CC2CCC(C1)O2
InChIInChI=1S/C14H16FNO2/c1-8-12(4-5-13(15)16-8)14(17)9-6-10-2-3-11(7-9)18-10/h4-5,9-11H,2-3,6-7H2,1H3
InChIKeyFTIBBMPCVAAJBM-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.67
Rot. Bonds2

About (6-fluoro-2-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

(6-fluoro-2-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171943849) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is (6-fluoro-2-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-2-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171943849
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name(6-fluoro-2-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCc1nc(F)ccc1C(=O)C1CC2CCC(C1)O2
InChIInChI=1S/C14H16FNO2/c1-8-12(4-5-13(15)16-8)14(17)9-6-10-2-3-11(7-9)18-10/h4-5,9-11H,2-3,6-7H2,1H3
InChIKeyFTIBBMPCVAAJBM-UHFFFAOYSA-N
XLogP2.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.67
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 (6-fluoro-2-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (6-fluoro-2-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (CID 171943849) is (6-fluoro-2-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (6-fluoro-2-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (6-fluoro-2-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is Cc1nc(F)ccc1C(=O)C1CC2CCC(C1)O2.
What is the InChIKey of (6-fluoro-2-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is FTIBBMPCVAAJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-8-12(4-5-13(15)16-8)14(17)9-6-10-2-3-11(7-9)18-10/h4-5,9-11H,2-3,6-7H2,1H3.
What are the key properties of (6-fluoro-2-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
(6-fluoro-2-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 249.28 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171943849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).