1-(5-ethyl-2-pyridinyl)pyrrolidine-3,4-diol

C11H16N2O2 — CID 177167295

IUPAC1-(5-ethyl-2-pyridinyl)pyrrolidine-3,4-diol
SMILESCCc1ccc(N2CC(O)C(O)C2)nc1
InChIInChI=1S/C11H16N2O2/c1-2-8-3-4-11(12-5-8)13-6-9(14)10(15)7-13/h3-5,9-10,14-15H,2,6-7H2,1H3
InChIKeyWSXOVJLPVHQQHS-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.19
Rot. Bonds2

About 1-(5-ethyl-2-pyridinyl)pyrrolidine-3,4-diol

1-(5-ethyl-2-pyridinyl)pyrrolidine-3,4-diol (PubChem CID 177167295) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)pyrrolidine-3,4-diol
PubChem CID177167295
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(5-ethyl-2-pyridinyl)pyrrolidine-3,4-diol
SMILESCCc1ccc(N2CC(O)C(O)C2)nc1
InChIInChI=1S/C11H16N2O2/c1-2-8-3-4-11(12-5-8)13-6-9(14)10(15)7-13/h3-5,9-10,14-15H,2,6-7H2,1H3
InChIKeyWSXOVJLPVHQQHS-UHFFFAOYSA-N
XLogP0.19
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-(3-iodoazetidin-1-yl)pyridine
CID 88994935
(2R,6S)-4-(5-ethyl-2-pyridinyl)-2,6-dimethyl-1-methylsulfonylpiperazine
CID 129268309
1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol
CID 106670459
[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61257054
[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methanol
CID 55218133
[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methanol
CID 115560518
1-[4-(5-ethyl-2-pyridinyl)morpholin-2-yl]-N,N-dimethylmethanamine
CID 70962971
[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol
CID 156826031
5-(chloromethyl)-2-(3,5-dimethylpiperidin-1-yl)pyridine
CID 61257198
5-ethyl-2-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]pyridine
CID 178164965
[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine
CID 30047687
6-(3,4-dihydroxypyrrolidin-1-yl)pyridine-3-carbothioamide
CID 106669549

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)pyrrolidine-3,4-diol (CID 177167295) is 1-(5-ethyl-2-pyridinyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)pyrrolidine-3,4-diol is CCc1ccc(N2CC(O)C(O)C2)nc1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)pyrrolidine-3,4-diol?
The InChIKey is WSXOVJLPVHQQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-8-3-4-11(12-5-8)13-6-9(14)10(15)7-13/h3-5,9-10,14-15H,2,6-7H2,1H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)pyrrolidine-3,4-diol?
1-(5-ethyl-2-pyridinyl)pyrrolidine-3,4-diol has a molecular weight of 208.26 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 177167295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).