(2R,3R)-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol

C6H11NO2 — CID 70687364

IUPAC(2R,3R)-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol
SMILESOC[C@H]1NCC=C[C@H]1O
InChIInChI=1S/C6H11NO2/c8-4-5-6(9)2-1-3-7-5/h1-2,5-9H,3-4H2/t5-,6-/m1/s1
InChIKeyIIZFBLMFSCOJPJ-PHDIDXHHSA-N
MW129.16 g/mol
LogP-1.13
Rot. Bonds1

About (2R,3R)-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol

(2R,3R)-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol (PubChem CID 70687364) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (2R,3R)-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol.

Molecular Properties

Compound Name(2R,3R)-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol
PubChem CID70687364
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(2R,3R)-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol
SMILESOC[C@H]1NCC=C[C@H]1O
InChIInChI=1S/C6H11NO2/c8-4-5-6(9)2-1-3-7-5/h1-2,5-9H,3-4H2/t5-,6-/m1/s1
InChIKeyIIZFBLMFSCOJPJ-PHDIDXHHSA-N
XLogP-1.13
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2~{S},3~{R})-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol
CID 55299324
(1,2,3,6-Tetrahydropyridin-2-yl)methanol
CID 5255586
(2R,3S)-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol
CID 70681002
(2S,3S)-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol
CID 70683127
1,2,3,6-Tetrahydropyridin-3-ol
CID 17935228
(E)-1-methoxy-2-(methylamino)hept-4-en-3-ol
CID 21349590
1,2,3,6-Tetrahydropyridin-3-ol hydrochloride
CID 21942137
(E)-5-(methylamino)hept-2-en-4-ol
CID 55286024
(E)-1-methoxy-2-(methylamino)hex-4-en-3-ol
CID 59728818
(E)-2-(methylamino)hex-4-ene-1,3-diol
CID 59874404
2-(Methylamino)hex-4-ene-1,3-diol
CID 72584650
(E,2R,3S)-2-(propan-2-ylamino)hex-4-ene-1,3-diol
CID 89102558

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol?
The IUPAC name of (2R,3R)-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol (CID 70687364) is (2R,3R)-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol.
What is the SMILES notation for (2R,3R)-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol?
The canonical SMILES for (2R,3R)-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol is OC[C@H]1NCC=C[C@H]1O.
What is the InChIKey of (2R,3R)-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol?
The InChIKey is IIZFBLMFSCOJPJ-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11NO2/c8-4-5-6(9)2-1-3-7-5/h1-2,5-9H,3-4H2/t5-,6-/m1/s1.
What are the key properties of (2R,3R)-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol?
(2R,3R)-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol has a molecular weight of 129.16 g/mol, XLogP of -1.13, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol is sourced from PubChem (CID 70687364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).