(5-fluoro-3-pyridinyl)-(2,4,5-trimethyloxolan-3-yl)methanone

C13H16FNO2 — CID 114963544

IUPAC(5-fluoro-3-pyridinyl)-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)c2cncc(F)c2)C1C
InChIInChI=1S/C13H16FNO2/c1-7-8(2)17-9(3)12(7)13(16)10-4-11(14)6-15-5-10/h4-9,12H,1-3H3
InChIKeyCYVSPFFTJGGORY-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.46
Rot. Bonds2

About (5-fluoro-3-pyridinyl)-(2,4,5-trimethyloxolan-3-yl)methanone

(5-fluoro-3-pyridinyl)-(2,4,5-trimethyloxolan-3-yl)methanone (PubChem CID 114963544) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-(2,4,5-trimethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)-(2,4,5-trimethyloxolan-3-yl)methanone
PubChem CID114963544
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name(5-fluoro-3-pyridinyl)-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)c2cncc(F)c2)C1C
InChIInChI=1S/C13H16FNO2/c1-7-8(2)17-9(3)12(7)13(16)10-4-11(14)6-15-5-10/h4-9,12H,1-3H3
InChIKeyCYVSPFFTJGGORY-UHFFFAOYSA-N
XLogP2.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-3-pyridinyl)-piperidin-4-ylmethanone
CID 67993080
(5-fluoro-3-pyridinyl)-morpholin-2-ylmethanone
CID 116561776
(4-tert-butylcyclohexyl)-(5-fluoro-3-pyridinyl)methanone
CID 65401097
(5-fluoro-3-pyridinyl)-(4-methylmorpholin-2-yl)methanone
CID 79077902
1-(5-fluoro-3-pyridinyl)-3-methylbut-2-en-1-one
CID 105112750
1,2-thiazol-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone
CID 130673495
chloro 5-fluoropyridine-3-carboxylate
CID 174465391
2-chloro-1-(5-fluoro-3-pyridinyl)ethanone
CID 104786801
2-ethyl-1-(5-fluoro-3-pyridinyl)butan-1-one
CID 114963530
(3S,4S)-1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxamide
CID 128983967
(4-bromo-2,5-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65154787
1-(5-fluoro-3-pyridinyl)-2-methyl-2-methylsulfonylpropan-1-one
CID 114963500

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The IUPAC name of (5-fluoro-3-pyridinyl)-(2,4,5-trimethyloxolan-3-yl)methanone (CID 114963544) is (5-fluoro-3-pyridinyl)-(2,4,5-trimethyloxolan-3-yl)methanone.
What is the SMILES notation for (5-fluoro-3-pyridinyl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The canonical SMILES for (5-fluoro-3-pyridinyl)-(2,4,5-trimethyloxolan-3-yl)methanone is CC1OC(C)C(C(=O)c2cncc(F)c2)C1C.
What is the InChIKey of (5-fluoro-3-pyridinyl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The InChIKey is CYVSPFFTJGGORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-7-8(2)17-9(3)12(7)13(16)10-4-11(14)6-15-5-10/h4-9,12H,1-3H3.
What are the key properties of (5-fluoro-3-pyridinyl)-(2,4,5-trimethyloxolan-3-yl)methanone?
(5-fluoro-3-pyridinyl)-(2,4,5-trimethyloxolan-3-yl)methanone has a molecular weight of 237.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)-(2,4,5-trimethyloxolan-3-yl)methanone is sourced from PubChem (CID 114963544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).