3-pyridin-3-ylpyrrolidin-3-ol;dihydrochloride

C9H14Cl2N2O — CID 68686267

IUPAC3-pyridin-3-ylpyrrolidin-3-ol;dihydrochloride
SMILESCl.Cl.OC1(c2cccnc2)CCNC1
InChIInChI=1S/C9H12N2O.2ClH/c12-9(3-5-11-7-9)8-2-1-4-10-6-8;;/h1-2,4,6,11-12H,3,5,7H2;2*1H
InChIKeyVQZJRCPQVGQPNF-UHFFFAOYSA-N
MW237.13 g/mol
LogP1.11
Rot. Bonds1

About 3-pyridin-3-ylpyrrolidin-3-ol;dihydrochloride

3-pyridin-3-ylpyrrolidin-3-ol;dihydrochloride (PubChem CID 68686267) has the molecular formula C9H14Cl2N2O and a molecular weight of 237.13 g/mol. Its IUPAC name is 3-pyridin-3-ylpyrrolidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name3-pyridin-3-ylpyrrolidin-3-ol;dihydrochloride
PubChem CID68686267
Molecular FormulaC9H14Cl2N2O
Molecular Weight237.13 g/mol
Exact Mass236.05
IUPAC Name3-pyridin-3-ylpyrrolidin-3-ol;dihydrochloride
SMILESCl.Cl.OC1(c2cccnc2)CCNC1
InChIInChI=1S/C9H12N2O.2ClH/c12-9(3-5-11-7-9)8-2-1-4-10-6-8;;/h1-2,4,6,11-12H,3,5,7H2;2*1H
InChIKeyVQZJRCPQVGQPNF-UHFFFAOYSA-N
XLogP1.11
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-ylpyrrolidin-3-ol;dihydrochloride?
The IUPAC name of 3-pyridin-3-ylpyrrolidin-3-ol;dihydrochloride (CID 68686267) is 3-pyridin-3-ylpyrrolidin-3-ol;dihydrochloride.
What is the SMILES notation for 3-pyridin-3-ylpyrrolidin-3-ol;dihydrochloride?
The canonical SMILES for 3-pyridin-3-ylpyrrolidin-3-ol;dihydrochloride is Cl.Cl.OC1(c2cccnc2)CCNC1.
What is the InChIKey of 3-pyridin-3-ylpyrrolidin-3-ol;dihydrochloride?
The InChIKey is VQZJRCPQVGQPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.2ClH/c12-9(3-5-11-7-9)8-2-1-4-10-6-8;;/h1-2,4,6,11-12H,3,5,7H2;2*1H.
What are the key properties of 3-pyridin-3-ylpyrrolidin-3-ol;dihydrochloride?
3-pyridin-3-ylpyrrolidin-3-ol;dihydrochloride has a molecular weight of 237.13 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-ylpyrrolidin-3-ol;dihydrochloride is sourced from PubChem (CID 68686267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).