1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol

C10H14N2O2 — CID 106672943

IUPAC1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
SMILESOC1CN(Cc2ccccn2)CC1O
InChIInChI=1S/C10H14N2O2/c13-9-6-12(7-10(9)14)5-8-3-1-2-4-11-8/h1-4,9-10,13-14H,5-7H2
InChIKeyQIGHFHAYEKVGHH-UHFFFAOYSA-N
MW194.23 g/mol
LogP-0.38
Rot. Bonds2

About 1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol

1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol (PubChem CID 106672943) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
PubChem CID106672943
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
SMILESOC1CN(Cc2ccccn2)CC1O
InChIInChI=1S/C10H14N2O2/c13-9-6-12(7-10(9)14)5-8-3-1-2-4-11-8/h1-4,9-10,13-14H,5-7H2
InChIKeyQIGHFHAYEKVGHH-UHFFFAOYSA-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

(3aS,6aR)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 156899177
(3aS,6aR)-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 96640188
[(3S,4R)-4-amino-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol
CID 173262646
1-[(3R,4S)-4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134705370
5-cyclopropyl-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185554
1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol
CID 157038979
(6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol
CID 75367760
(3S,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 134699277
(3aR,6aS)-N,N-dimethyl-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 97376937
CID 59694740
CID 59694740
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
1-[(2-chloro-3-pyridinyl)methyl]pyrrolidine-3,4-diol
CID 106668639

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol (CID 106672943) is 1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol is OC1CN(Cc2ccccn2)CC1O.
What is the InChIKey of 1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol?
The InChIKey is QIGHFHAYEKVGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-9-6-12(7-10(9)14)5-8-3-1-2-4-11-8/h1-4,9-10,13-14H,5-7H2.
What are the key properties of 1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol?
1-(pyridin-2-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 1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106672943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).