(3R,5S)-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride

C10H16Cl2N2O2 — CID 67586871

IUPAC(3R,5S)-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride
SMILESCl.Cl.O[C@H]1CN[C@H](COc2cccnc2)C1
InChIInChI=1S/C10H14N2O2.2ClH/c13-9-4-8(12-5-9)7-14-10-2-1-3-11-6-10;;/h1-3,6,8-9,12-13H,4-5,7H2;2*1H/t8-,9+;;/m0../s1
InChIKeyFAXVRANEMSFJBF-DBEJOZALSA-N
MW267.16 g/mol
LogP1.03
Rot. Bonds3

About (3R,5S)-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride

(3R,5S)-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride (PubChem CID 67586871) has the molecular formula C10H16Cl2N2O2 and a molecular weight of 267.16 g/mol. Its IUPAC name is (3R,5S)-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name(3R,5S)-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride
PubChem CID67586871
Molecular FormulaC10H16Cl2N2O2
Molecular Weight267.16 g/mol
Exact Mass266.06
IUPAC Name(3R,5S)-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride
SMILESCl.Cl.O[C@H]1CN[C@H](COc2cccnc2)C1
InChIInChI=1S/C10H14N2O2.2ClH/c13-9-4-8(12-5-9)7-14-10-2-1-3-11-6-10;;/h1-3,6,8-9,12-13H,4-5,7H2;2*1H/t8-,9+;;/m0../s1
InChIKeyFAXVRANEMSFJBF-DBEJOZALSA-N
XLogP1.03
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pozanicline
CID 178052
Ispronicline
CID 9824145
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CID 11983356
Isamoltan
CID 127404
A-85380
CID 5310969
A-84543
CID 9794141
3-(2-(N,N,N-trimethylammonium)ethoxy)pyridine
CID 9794401
2-Fluoro-A-85380
CID 10241442
2-Fluoro-3-(2S-azetidinylmethoxy)pyridine, F-18
CID 450860
N-methyl-2-(pyridin-3-yloxy)ethanamine
CID 9793858
3-(2-Azetidinylmethoxy)pyridine
CID 1962
5-[[(2R)-azetidin-2-yl]methoxy]-2-fluoropyridine
CID 10313392

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride?
The IUPAC name of (3R,5S)-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride (CID 67586871) is (3R,5S)-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride.
What is the SMILES notation for (3R,5S)-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride?
The canonical SMILES for (3R,5S)-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride is Cl.Cl.O[C@H]1CN[C@H](COc2cccnc2)C1.
What is the InChIKey of (3R,5S)-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride?
The InChIKey is FAXVRANEMSFJBF-DBEJOZALSA-N. The full InChI is InChI=1S/C10H14N2O2.2ClH/c13-9-4-8(12-5-9)7-14-10-2-1-3-11-6-10;;/h1-3,6,8-9,12-13H,4-5,7H2;2*1H/t8-,9+;;/m0../s1.
What are the key properties of (3R,5S)-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride?
(3R,5S)-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride has a molecular weight of 267.16 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride is sourced from PubChem (CID 67586871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).