(3S,4R,5R)-6-(fluoromethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol

C6H10FNO3 — CID 10352013

IUPAC(3S,4R,5R)-6-(fluoromethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol
SMILESO[C@H]1[C@H](O)C(CF)=NC[C@@H]1O
InChIInChI=1S/C6H10FNO3/c7-1-3-5(10)6(11)4(9)2-8-3/h4-6,9-11H,1-2H2/t4-,5+,6+/m0/s1
InChIKeyKXFHZEDCVCDORH-KVQBGUIXSA-N
MW163.15 g/mol
LogP-1.51
Rot. Bonds1

About (3S,4R,5R)-6-(fluoromethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol

(3S,4R,5R)-6-(fluoromethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol (PubChem CID 10352013) has the molecular formula C6H10FNO3 and a molecular weight of 163.15 g/mol. Its IUPAC name is (3S,4R,5R)-6-(fluoromethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol.

Molecular Properties

Compound Name(3S,4R,5R)-6-(fluoromethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol
PubChem CID10352013
Molecular FormulaC6H10FNO3
Molecular Weight163.15 g/mol
Exact Mass163.06
IUPAC Name(3S,4R,5R)-6-(fluoromethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol
SMILESO[C@H]1[C@H](O)C(CF)=NC[C@@H]1O
InChIInChI=1S/C6H10FNO3/c7-1-3-5(10)6(11)4(9)2-8-3/h4-6,9-11H,1-2H2/t4-,5+,6+/m0/s1
InChIKeyKXFHZEDCVCDORH-KVQBGUIXSA-N
XLogP-1.51
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S,4R,5R)-6-(fluoromethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-difluoro-6-methyl-3,4-dihydro-2H-pyridine-3,4-diol
CID 135016749
(3R,4S,5R)-5,6-dimethyl-3,4-dihydro-2H-pyridine-3,4,5-triol
CID 16215479
(5S)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridin-5-ol
CID 89313359
(3S,5S)-6-methyl-2,3,4,5-tetrahydropyridine-3,5-diol
CID 89313386
(3R,4S,5R)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-2,3,4,5-tetrol
CID 140745514
(2R,3R,4R,5S)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol
CID 11019001
(3S,4R,5S)-5,6-dimethyl-3,4-dihydro-2H-pyridine-3,4,5-triol
CID 16215345
(2R,3S,4S,5R)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol
CID 102427627

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-6-(fluoromethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol?
The IUPAC name of (3S,4R,5R)-6-(fluoromethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol (CID 10352013) is (3S,4R,5R)-6-(fluoromethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol.
What is the SMILES notation for (3S,4R,5R)-6-(fluoromethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol?
The canonical SMILES for (3S,4R,5R)-6-(fluoromethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol is O[C@H]1[C@H](O)C(CF)=NC[C@@H]1O.
What is the InChIKey of (3S,4R,5R)-6-(fluoromethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol?
The InChIKey is KXFHZEDCVCDORH-KVQBGUIXSA-N. The full InChI is InChI=1S/C6H10FNO3/c7-1-3-5(10)6(11)4(9)2-8-3/h4-6,9-11H,1-2H2/t4-,5+,6+/m0/s1.
What are the key properties of (3S,4R,5R)-6-(fluoromethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol?
(3S,4R,5R)-6-(fluoromethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol has a molecular weight of 163.15 g/mol, XLogP of -1.51, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-6-(fluoromethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol is sourced from PubChem (CID 10352013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).