(3R,4R)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-diol

C10H14N2O2 — CID 143992061

IUPAC(3R,4R)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(Cc2ccncc2)C[C@H]1O
InChIInChI=1S/C10H14N2O2/c13-9-6-12(7-10(9)14)5-8-1-3-11-4-2-8/h1-4,9-10,13-14H,5-7H2/t9-,10-/m1/s1
InChIKeyDPTDINYSYKYPJG-NXEZZACHSA-N
MW194.23 g/mol
LogP-0.38
Rot. Bonds2

About (3R,4R)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-diol

(3R,4R)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-diol (PubChem CID 143992061) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3R,4R)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-diol
PubChem CID143992061
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(3R,4R)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(Cc2ccncc2)C[C@H]1O
InChIInChI=1S/C10H14N2O2/c13-9-6-12(7-10(9)14)5-8-1-3-11-4-2-8/h1-4,9-10,13-14H,5-7H2/t9-,10-/m1/s1
InChIKeyDPTDINYSYKYPJG-NXEZZACHSA-N
XLogP-0.38
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidine-3,4-diol
CID 79410495
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
1-[(4-ethylphenyl)methyl]pyrrolidine-3,4-diol
CID 106672342
(3R,4R)-1-(pyridin-3-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 134709218
4-[[3-(triazol-1-yl)azetidin-1-yl]methyl]pyridine
CID 121183800
(3S,4R)-4-(pyridin-4-ylmethyl)-1-[(4-pyridin-3-ylphenyl)methyl]pyrrolidin-3-ol
CID 162626048
(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 39225703
N-[(3R,4R)-4-hydroxy-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 110133232
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol
CID 106672877
2-(chloromethyl)-6-methyl-4-(pyridin-4-ylmethyl)morpholine
CID 102936755

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-diol?
The IUPAC name of (3R,4R)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-diol (CID 143992061) is (3R,4R)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (3R,4R)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (3R,4R)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-diol is O[C@@H]1CN(Cc2ccncc2)C[C@H]1O.
What is the InChIKey of (3R,4R)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-diol?
The InChIKey is DPTDINYSYKYPJG-NXEZZACHSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-9-6-12(7-10(9)14)5-8-1-3-11-4-2-8/h1-4,9-10,13-14H,5-7H2/t9-,10-/m1/s1.
What are the key properties of (3R,4R)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-diol?
(3R,4R)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-diol has a molecular weight of 194.23 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 143992061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).