methyl 6-(azetidin-3-yloxy)pyridine-3-carboxylate;dihydrochloride

C10H14Cl2N2O3 — CID 91812449

IUPACmethyl 6-(azetidin-3-yloxy)pyridine-3-carboxylate;dihydrochloride
SMILESCOC(=O)c1ccc(OC2CNC2)nc1.Cl.Cl
InChIInChI=1S/C10H12N2O3.2ClH/c1-14-10(13)7-2-3-9(12-4-7)15-8-5-11-6-8;;/h2-4,8,11H,5-6H2,1H3;2*1H
InChIKeyPSSOQCDUQISSIL-UHFFFAOYSA-N
MW281.14 g/mol
LogP1.06
Rot. Bonds3

About methyl 6-(azetidin-3-yloxy)pyridine-3-carboxylate;dihydrochloride

methyl 6-(azetidin-3-yloxy)pyridine-3-carboxylate;dihydrochloride (PubChem CID 91812449) has the molecular formula C10H14Cl2N2O3 and a molecular weight of 281.14 g/mol. Its IUPAC name is methyl 6-(azetidin-3-yloxy)pyridine-3-carboxylate;dihydrochloride.

Molecular Properties

Compound Namemethyl 6-(azetidin-3-yloxy)pyridine-3-carboxylate;dihydrochloride
PubChem CID91812449
Molecular FormulaC10H14Cl2N2O3
Molecular Weight281.14 g/mol
Exact Mass280.04
IUPAC Namemethyl 6-(azetidin-3-yloxy)pyridine-3-carboxylate;dihydrochloride
SMILESCOC(=O)c1ccc(OC2CNC2)nc1.Cl.Cl
InChIInChI=1S/C10H12N2O3.2ClH/c1-14-10(13)7-2-3-9(12-4-7)15-8-5-11-6-8;;/h2-4,8,11H,5-6H2,1H3;2*1H
InChIKeyPSSOQCDUQISSIL-UHFFFAOYSA-N
XLogP1.06
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(azetidin-3-yloxy)pyridazine-3-carboxylate
CID 63104615
methyl 6-(methoxymethoxy)pyridine-3-carboxylate
CID 50896445
6-[(3S)-piperidin-3-yl]oxypyridine-3-carboxamide
CID 66246010
N,N-dimethyl-6-(4-methylpiperidin-3-yl)oxypyridine-3-carboxamide
CID 102954715
1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone
CID 114341231
methyl 6-(3-aminopropoxy)pyridine-3-carboxylate;hydrochloride
CID 166000008
methyl 4-(azetidine-3-carbonyl)benzoate;hydrochloride
CID 86263323
methyl 6-(cyclopentylamino)pyridine-3-carboxylate
CID 154654018
1-[6-(oxetan-3-yloxy)-3-pyridinyl]ethanone
CID 102604862
methyl 6-(4-methylphenoxy)pyridine-3-carboxylate
CID 123190451
methyl 4-(azetidin-3-yloxymethyl)benzoate
CID 53410622
methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate
CID 58368225

Frequently Asked Questions

What is the IUPAC name of methyl 6-(azetidin-3-yloxy)pyridine-3-carboxylate;dihydrochloride?
The IUPAC name of methyl 6-(azetidin-3-yloxy)pyridine-3-carboxylate;dihydrochloride (CID 91812449) is methyl 6-(azetidin-3-yloxy)pyridine-3-carboxylate;dihydrochloride.
What is the SMILES notation for methyl 6-(azetidin-3-yloxy)pyridine-3-carboxylate;dihydrochloride?
The canonical SMILES for methyl 6-(azetidin-3-yloxy)pyridine-3-carboxylate;dihydrochloride is COC(=O)c1ccc(OC2CNC2)nc1.Cl.Cl.
What is the InChIKey of methyl 6-(azetidin-3-yloxy)pyridine-3-carboxylate;dihydrochloride?
The InChIKey is PSSOQCDUQISSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3.2ClH/c1-14-10(13)7-2-3-9(12-4-7)15-8-5-11-6-8;;/h2-4,8,11H,5-6H2,1H3;2*1H.
What are the key properties of methyl 6-(azetidin-3-yloxy)pyridine-3-carboxylate;dihydrochloride?
methyl 6-(azetidin-3-yloxy)pyridine-3-carboxylate;dihydrochloride has a molecular weight of 281.14 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(azetidin-3-yloxy)pyridine-3-carboxylate;dihydrochloride is sourced from PubChem (CID 91812449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).