[(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl pyridine-3-carboxylate

C12H15NO5 — CID 170219609

IUPAC[(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl pyridine-3-carboxylate
SMILESCC1O[C@H](COC(=O)c2cccnc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H15NO5/c1-7-10(14)11(15)9(18-7)6-17-12(16)8-3-2-4-13-5-8/h2-5,7,9-11,14-15H,6H2,1H3/t7?,9-,10+,11-/m1/s1
InChIKeyMUYKHEFLTYSDTG-XSRCVXOTSA-N
MW253.25 g/mol
LogP-0.25
Rot. Bonds3

About [(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl pyridine-3-carboxylate

[(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl pyridine-3-carboxylate (PubChem CID 170219609) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is [(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl pyridine-3-carboxylate.

Molecular Properties

Compound Name[(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl pyridine-3-carboxylate
PubChem CID170219609
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name[(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl pyridine-3-carboxylate
SMILESCC1O[C@H](COC(=O)c2cccnc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H15NO5/c1-7-10(14)11(15)9(18-7)6-17-12(16)8-3-2-4-13-5-8/h2-5,7,9-11,14-15H,6H2,1H3/t7?,9-,10+,11-/m1/s1
InChIKeyMUYKHEFLTYSDTG-XSRCVXOTSA-N
XLogP-0.25
TPSA88.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,3S,4R,5R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methyl pyridine-3-carboxylate
CID 152756049
[(3S,4S)-3,4-dihydroxyoxolan-2-yl]methyl pyridine-3-carboxylate
CID 170219804
ethyl pyridine-3-carboxylate;(3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 66705749
pyridine-3-carboxamide;[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl acetate
CID 118561886
[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methyl pyridine-3-carboxylate
CID 25270050
(5-hydroxyoxolan-2-yl)methyl pyridine-3-carboxylate
CID 169177178
[(3aR,6R,6aR)-2,2-dimethyl-4-(pyridine-3-carbonyloxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl pyridine-3-carboxylate
CID 142289111
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
2-oxopropyl pyridine-3-carboxylate
CID 69192363
[(2S,3R,4R,5S)-5-acetyloxy-3,4-dihydroxyoxolan-2-yl]methyl benzoate
CID 22215551
oxolan-2-ylmethyl pyridine-3-carboxylate
CID 6260
[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl pyridine-3-carboxylate?
The IUPAC name of [(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl pyridine-3-carboxylate (CID 170219609) is [(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl pyridine-3-carboxylate.
What is the SMILES notation for [(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl pyridine-3-carboxylate?
The canonical SMILES for [(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl pyridine-3-carboxylate is CC1O[C@H](COC(=O)c2cccnc2)[C@@H](O)[C@H]1O.
What is the InChIKey of [(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl pyridine-3-carboxylate?
The InChIKey is MUYKHEFLTYSDTG-XSRCVXOTSA-N. The full InChI is InChI=1S/C12H15NO5/c1-7-10(14)11(15)9(18-7)6-17-12(16)8-3-2-4-13-5-8/h2-5,7,9-11,14-15H,6H2,1H3/t7?,9-,10+,11-/m1/s1.
What are the key properties of [(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl pyridine-3-carboxylate?
[(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl pyridine-3-carboxylate has a molecular weight of 253.25 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl pyridine-3-carboxylate is sourced from PubChem (CID 170219609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).