(2R,3R,4R)-2,3,4,5-tetrahydroxy-1-pyridin-2-ylpentan-1-one

C10H13NO5 — CID 23579935

IUPAC(2R,3R,4R)-2,3,4,5-tetrahydroxy-1-pyridin-2-ylpentan-1-one
SMILESO=C(c1ccccn1)[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H13NO5/c12-5-7(13)9(15)10(16)8(14)6-3-1-2-4-11-6/h1-4,7,9-10,12-13,15-16H,5H2/t7-,9-,10+/m1/s1
InChIKeyOQSRVMXNPVQTKP-QNSHHTMESA-N
MW227.22 g/mol
LogP-1.66
Rot. Bonds5

About (2R,3R,4R)-2,3,4,5-tetrahydroxy-1-pyridin-2-ylpentan-1-one

(2R,3R,4R)-2,3,4,5-tetrahydroxy-1-pyridin-2-ylpentan-1-one (PubChem CID 23579935) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is (2R,3R,4R)-2,3,4,5-tetrahydroxy-1-pyridin-2-ylpentan-1-one.

Molecular Properties

Compound Name(2R,3R,4R)-2,3,4,5-tetrahydroxy-1-pyridin-2-ylpentan-1-one
PubChem CID23579935
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name(2R,3R,4R)-2,3,4,5-tetrahydroxy-1-pyridin-2-ylpentan-1-one
SMILESO=C(c1ccccn1)[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H13NO5/c12-5-7(13)9(15)10(16)8(14)6-3-1-2-4-11-6/h1-4,7,9-10,12-13,15-16H,5H2/t7-,9-,10+/m1/s1
InChIKeyOQSRVMXNPVQTKP-QNSHHTMESA-N
XLogP-1.66
TPSA110.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-diethoxy-1-pyridin-2-ylethanone
CID 13057565
2-amino-3-oxo-3-pyridin-2-ylpropanoic acid
CID 116920563
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
2,3-dihydroxybutanedioic acid;pyridine-2-carboxamide
CID 174601902
gadolinium;pyridine-2-carboxylic acid
CID 175231422
(2R,3R,4R,5S)-6-(pyridin-2-ylmethylamino)hexane-1,2,3,4,5-pentol
CID 22797314
(2Z)-2-hydroxyimino-2-pyridin-2-ylacetamide
CID 140560701
2-fluoro-3-oxo-3-pyridin-2-ylpropanenitrile
CID 90434431
pyridine-2-carboxylic acid;tungsten
CID 88770661
CID 173156131
CID 173156131
phosphanyl(pyridin-2-yl)methanone
CID 89397457
CID 175246691
CID 175246691

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2,3,4,5-tetrahydroxy-1-pyridin-2-ylpentan-1-one?
The IUPAC name of (2R,3R,4R)-2,3,4,5-tetrahydroxy-1-pyridin-2-ylpentan-1-one (CID 23579935) is (2R,3R,4R)-2,3,4,5-tetrahydroxy-1-pyridin-2-ylpentan-1-one.
What is the SMILES notation for (2R,3R,4R)-2,3,4,5-tetrahydroxy-1-pyridin-2-ylpentan-1-one?
The canonical SMILES for (2R,3R,4R)-2,3,4,5-tetrahydroxy-1-pyridin-2-ylpentan-1-one is O=C(c1ccccn1)[C@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R)-2,3,4,5-tetrahydroxy-1-pyridin-2-ylpentan-1-one?
The InChIKey is OQSRVMXNPVQTKP-QNSHHTMESA-N. The full InChI is InChI=1S/C10H13NO5/c12-5-7(13)9(15)10(16)8(14)6-3-1-2-4-11-6/h1-4,7,9-10,12-13,15-16H,5H2/t7-,9-,10+/m1/s1.
What are the key properties of (2R,3R,4R)-2,3,4,5-tetrahydroxy-1-pyridin-2-ylpentan-1-one?
(2R,3R,4R)-2,3,4,5-tetrahydroxy-1-pyridin-2-ylpentan-1-one has a molecular weight of 227.22 g/mol, XLogP of -1.66, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2,3,4,5-tetrahydroxy-1-pyridin-2-ylpentan-1-one is sourced from PubChem (CID 23579935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).