1-methyl-2-(pyrrolidin-1-ylmethoxy)-2H-pyridin-4-ol;dihydrochloride

C11H20Cl2N2O2 — CID 70140336

IUPAC1-methyl-2-(pyrrolidin-1-ylmethoxy)-2H-pyridin-4-ol;dihydrochloride
SMILESCN1C=CC(O)=CC1OCN1CCCC1.Cl.Cl
InChIInChI=1S/C11H18N2O2.2ClH/c1-12-7-4-10(14)8-11(12)15-9-13-5-2-3-6-13;;/h4,7-8,11,14H,2-3,5-6,9H2,1H3;2*1H
InChIKeyITJGUZOMMKCRRW-UHFFFAOYSA-N
MW283.20 g/mol
LogP2.13
Rot. Bonds3

About 1-methyl-2-(pyrrolidin-1-ylmethoxy)-2H-pyridin-4-ol;dihydrochloride

1-methyl-2-(pyrrolidin-1-ylmethoxy)-2H-pyridin-4-ol;dihydrochloride (PubChem CID 70140336) has the molecular formula C11H20Cl2N2O2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 1-methyl-2-(pyrrolidin-1-ylmethoxy)-2H-pyridin-4-ol;dihydrochloride.

Molecular Properties

Compound Name1-methyl-2-(pyrrolidin-1-ylmethoxy)-2H-pyridin-4-ol;dihydrochloride
PubChem CID70140336
Molecular FormulaC11H20Cl2N2O2
Molecular Weight283.20 g/mol
Exact Mass282.09
IUPAC Name1-methyl-2-(pyrrolidin-1-ylmethoxy)-2H-pyridin-4-ol;dihydrochloride
SMILESCN1C=CC(O)=CC1OCN1CCCC1.Cl.Cl
InChIInChI=1S/C11H18N2O2.2ClH/c1-12-7-4-10(14)8-11(12)15-9-13-5-2-3-6-13;;/h4,7-8,11,14H,2-3,5-6,9H2,1H3;2*1H
InChIKeyITJGUZOMMKCRRW-UHFFFAOYSA-N
XLogP2.13
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-6-(pyrrolidin-1-ylmethoxy)-2H-pyridin-4-ol;dihydrochloride
CID 70140341
(2R)-1-methyl-2-(pyrrolidin-1-ylmethoxy)-2H-pyridine
CID 152749458
(2S)-1-methyl-2-(pyrrolidin-1-ylmethoxy)-2H-pyridine
CID 152749459
1-methyl-2-(pyrrolidin-1-ylmethoxy)-2H-pyridin-4-ol
CID 70140337

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(pyrrolidin-1-ylmethoxy)-2H-pyridin-4-ol;dihydrochloride?
The IUPAC name of 1-methyl-2-(pyrrolidin-1-ylmethoxy)-2H-pyridin-4-ol;dihydrochloride (CID 70140336) is 1-methyl-2-(pyrrolidin-1-ylmethoxy)-2H-pyridin-4-ol;dihydrochloride.
What is the SMILES notation for 1-methyl-2-(pyrrolidin-1-ylmethoxy)-2H-pyridin-4-ol;dihydrochloride?
The canonical SMILES for 1-methyl-2-(pyrrolidin-1-ylmethoxy)-2H-pyridin-4-ol;dihydrochloride is CN1C=CC(O)=CC1OCN1CCCC1.Cl.Cl.
What is the InChIKey of 1-methyl-2-(pyrrolidin-1-ylmethoxy)-2H-pyridin-4-ol;dihydrochloride?
The InChIKey is ITJGUZOMMKCRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2.2ClH/c1-12-7-4-10(14)8-11(12)15-9-13-5-2-3-6-13;;/h4,7-8,11,14H,2-3,5-6,9H2,1H3;2*1H.
What are the key properties of 1-methyl-2-(pyrrolidin-1-ylmethoxy)-2H-pyridin-4-ol;dihydrochloride?
1-methyl-2-(pyrrolidin-1-ylmethoxy)-2H-pyridin-4-ol;dihydrochloride has a molecular weight of 283.20 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(pyrrolidin-1-ylmethoxy)-2H-pyridin-4-ol;dihydrochloride is sourced from PubChem (CID 70140336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).