(3-chloropyrazin-2-yl)-[(2S,4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methanone

C15H13ClN2O4 — CID 102363441

IUPAC(3-chloropyrazin-2-yl)-[(2S,4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methanone
SMILESO=C(c1nccnc1Cl)[C@H]1O[C@@H](c2ccccc2)OC[C@H]1O
InChIInChI=1S/C15H13ClN2O4/c16-14-11(17-6-7-18-14)12(20)13-10(19)8-21-15(22-13)9-4-2-1-3-5-9/h1-7,10,13,15,19H,8H2/t10-,13+,15+/m1/s1
InChIKeyGIUJROLRRYQMME-DGFSRKRXSA-N
MW320.73 g/mol
LogP1.79
Rot. Bonds3

About (3-chloropyrazin-2-yl)-[(2S,4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methanone

(3-chloropyrazin-2-yl)-[(2S,4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methanone (PubChem CID 102363441) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is (3-chloropyrazin-2-yl)-[(2S,4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methanone.

Molecular Properties

Compound Name(3-chloropyrazin-2-yl)-[(2S,4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methanone
PubChem CID102363441
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name(3-chloropyrazin-2-yl)-[(2S,4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methanone
SMILESO=C(c1nccnc1Cl)[C@H]1O[C@@H](c2ccccc2)OC[C@H]1O
InChIInChI=1S/C15H13ClN2O4/c16-14-11(17-6-7-18-14)12(20)13-10(19)8-21-15(22-13)9-4-2-1-3-5-9/h1-7,10,13,15,19H,8H2/t10-,13+,15+/m1/s1
InChIKeyGIUJROLRRYQMME-DGFSRKRXSA-N
XLogP1.79
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-chloropyrazin-2-yl)-[(2S,4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methanone with MolForge

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Related Compounds

(2S)-2-amino-3-hydroxy-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propan-1-one
CID 54163037
(4S,5R)-4-[(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 90322628
(4S,5R)-4-[(4R,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 102461331
(4S,5S)-4-[(4S,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 176837277
(5R)-4-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 22309099
2-phenyl-1,3-dioxolan-4-ol
CID 23288237
2-phenyl-1,3-dioxane-5-carbonyl chloride
CID 18682418
(3-chloropyrazin-2-yl)-cyclopropylmethanone
CID 175943753
(E)-3-[(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]prop-2-enoic acid
CID 70003261
[(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 10726056
N-hydroxy-N-methyl-2-(2-phenyl-1,3-dioxolan-4-yl)acetamide
CID 21306105
2-[(4S,4aR,8aS)-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-2-oxoacetic acid
CID 70564388

Frequently Asked Questions

What is the IUPAC name of (3-chloropyrazin-2-yl)-[(2S,4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methanone?
The IUPAC name of (3-chloropyrazin-2-yl)-[(2S,4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methanone (CID 102363441) is (3-chloropyrazin-2-yl)-[(2S,4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methanone.
What is the SMILES notation for (3-chloropyrazin-2-yl)-[(2S,4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methanone?
The canonical SMILES for (3-chloropyrazin-2-yl)-[(2S,4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methanone is O=C(c1nccnc1Cl)[C@H]1O[C@@H](c2ccccc2)OC[C@H]1O.
What is the InChIKey of (3-chloropyrazin-2-yl)-[(2S,4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methanone?
The InChIKey is GIUJROLRRYQMME-DGFSRKRXSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c16-14-11(17-6-7-18-14)12(20)13-10(19)8-21-15(22-13)9-4-2-1-3-5-9/h1-7,10,13,15,19H,8H2/t10-,13+,15+/m1/s1.
What are the key properties of (3-chloropyrazin-2-yl)-[(2S,4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methanone?
(3-chloropyrazin-2-yl)-[(2S,4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methanone has a molecular weight of 320.73 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropyrazin-2-yl)-[(2S,4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methanone is sourced from PubChem (CID 102363441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).