[(3S)-2-oxooxolan-3-yl] 3,4,5-trichloropyridine-2-carboxylate

C10H6Cl3NO4 — CID 7351756

IUPAC[(3S)-2-oxooxolan-3-yl] 3,4,5-trichloropyridine-2-carboxylate
SMILESO=C(O[C@H]1CCOC1=O)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H6Cl3NO4/c11-4-3-14-8(7(13)6(4)12)10(16)18-5-1-2-17-9(5)15/h3,5H,1-2H2/t5-/m0/s1
InChIKeyHQBRJCZXQBNXOL-YFKPBYRVSA-N
MW310.52 g/mol
LogP2.51
Rot. Bonds2

About [(3S)-2-oxooxolan-3-yl] 3,4,5-trichloropyridine-2-carboxylate

[(3S)-2-oxooxolan-3-yl] 3,4,5-trichloropyridine-2-carboxylate (PubChem CID 7351756) has the molecular formula C10H6Cl3NO4 and a molecular weight of 310.52 g/mol. Its IUPAC name is [(3S)-2-oxooxolan-3-yl] 3,4,5-trichloropyridine-2-carboxylate.

Molecular Properties

Compound Name[(3S)-2-oxooxolan-3-yl] 3,4,5-trichloropyridine-2-carboxylate
PubChem CID7351756
Molecular FormulaC10H6Cl3NO4
Molecular Weight310.52 g/mol
Exact Mass308.94
IUPAC Name[(3S)-2-oxooxolan-3-yl] 3,4,5-trichloropyridine-2-carboxylate
SMILESO=C(O[C@H]1CCOC1=O)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H6Cl3NO4/c11-4-3-14-8(7(13)6(4)12)10(16)18-5-1-2-17-9(5)15/h3,5H,1-2H2/t5-/m0/s1
InChIKeyHQBRJCZXQBNXOL-YFKPBYRVSA-N
XLogP2.51
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.52
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-2-oxooxolan-3-yl] 3,4,5-trichloropyridine-2-carboxylate with MolForge

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Related Compounds

(2-oxooxolan-3-yl) 5,6-dichloropyridine-3-carboxylate
CID 18777061
[(3S)-2-oxooxolan-3-yl] 2,3,6-trichlorobenzoate
CID 2469357
[(3S)-2-oxooxolan-3-yl] 4-chlorobenzoate
CID 2380151
(2-oxooxolan-3-yl) 5-amino-2,3-dichlorobenzoate
CID 113247935
[(3S)-2-oxooxolan-3-yl] 5-methylthiophene-2-carboxylate
CID 2372192
(2-oxooxolan-3-yl) 5-chloro-2-hydroxybenzoate
CID 23824523
[(3S)-2-oxooxolan-3-yl] 2-chloro-5-methylsulfonylbenzoate
CID 2502939
[(3R)-2-oxooxolan-3-yl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
CID 2534738
[(3R)-2-oxooxolan-3-yl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
CID 40985896
[(3S)-2-oxooxolan-3-yl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate
CID 2120682
[(3R)-2-oxooxolan-3-yl] 4-(hydroxymethyl)benzoate
CID 2538214
(2-oxooxolan-3-yl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61317213

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxooxolan-3-yl] 3,4,5-trichloropyridine-2-carboxylate?
The IUPAC name of [(3S)-2-oxooxolan-3-yl] 3,4,5-trichloropyridine-2-carboxylate (CID 7351756) is [(3S)-2-oxooxolan-3-yl] 3,4,5-trichloropyridine-2-carboxylate.
What is the SMILES notation for [(3S)-2-oxooxolan-3-yl] 3,4,5-trichloropyridine-2-carboxylate?
The canonical SMILES for [(3S)-2-oxooxolan-3-yl] 3,4,5-trichloropyridine-2-carboxylate is O=C(O[C@H]1CCOC1=O)c1ncc(Cl)c(Cl)c1Cl.
What is the InChIKey of [(3S)-2-oxooxolan-3-yl] 3,4,5-trichloropyridine-2-carboxylate?
The InChIKey is HQBRJCZXQBNXOL-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H6Cl3NO4/c11-4-3-14-8(7(13)6(4)12)10(16)18-5-1-2-17-9(5)15/h3,5H,1-2H2/t5-/m0/s1.
What are the key properties of [(3S)-2-oxooxolan-3-yl] 3,4,5-trichloropyridine-2-carboxylate?
[(3S)-2-oxooxolan-3-yl] 3,4,5-trichloropyridine-2-carboxylate has a molecular weight of 310.52 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxooxolan-3-yl] 3,4,5-trichloropyridine-2-carboxylate is sourced from PubChem (CID 7351756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).