2,3-dimethyl-4-[1-(pyridin-2-ylmethoxy)ethoxy]pyridine

C15H18N2O2 — CID 19600563

IUPAC2,3-dimethyl-4-[1-(pyridin-2-ylmethoxy)ethoxy]pyridine
SMILESCc1nccc(OC(C)OCc2ccccn2)c1C
InChIInChI=1S/C15H18N2O2/c1-11-12(2)16-9-7-15(11)19-13(3)18-10-14-6-4-5-8-17-14/h4-9,13H,10H2,1-3H3
InChIKeyQUBFHSXTZYVZFP-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.04
Rot. Bonds5

About 2,3-dimethyl-4-[1-(pyridin-2-ylmethoxy)ethoxy]pyridine

2,3-dimethyl-4-[1-(pyridin-2-ylmethoxy)ethoxy]pyridine (PubChem CID 19600563) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2,3-dimethyl-4-[1-(pyridin-2-ylmethoxy)ethoxy]pyridine.

Molecular Properties

Compound Name2,3-dimethyl-4-[1-(pyridin-2-ylmethoxy)ethoxy]pyridine
PubChem CID19600563
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2,3-dimethyl-4-[1-(pyridin-2-ylmethoxy)ethoxy]pyridine
SMILESCc1nccc(OC(C)OCc2ccccn2)c1C
InChIInChI=1S/C15H18N2O2/c1-11-12(2)16-9-7-15(11)19-13(3)18-10-14-6-4-5-8-17-14/h4-9,13H,10H2,1-3H3
InChIKeyQUBFHSXTZYVZFP-UHFFFAOYSA-N
XLogP3.04
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1-cyclopropylethoxymethyl)pyridine
CID 88973388
2-(1,1-dimethoxypropan-2-yloxymethyl)pyridine
CID 67415336
pyridin-2-ylmethyl 2-aminopropanoate
CID 83529934
pyridin-2-ylmethyl 2-trimethylsilylpropanoate
CID 11962005
N-methyl-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 43505122
2-(pyridin-2-ylmethoxy)benzenethiol
CID 146174195
pyridin-2-ylmethyl hypoiodite
CID 67567753
(1S)-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanol
CID 55190234
N-(pyridin-2-ylmethoxy)methanamine
CID 58351102
2-[[4-(2-methylpropyl)cyclohexyl]methyl]pyridine
CID 129147354
2-[(2-chloro-4-propan-2-yloxyphenoxy)methyl]pyridine
CID 137421499
(1R)-1-[4-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 30121102

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[1-(pyridin-2-ylmethoxy)ethoxy]pyridine?
The IUPAC name of 2,3-dimethyl-4-[1-(pyridin-2-ylmethoxy)ethoxy]pyridine (CID 19600563) is 2,3-dimethyl-4-[1-(pyridin-2-ylmethoxy)ethoxy]pyridine.
What is the SMILES notation for 2,3-dimethyl-4-[1-(pyridin-2-ylmethoxy)ethoxy]pyridine?
The canonical SMILES for 2,3-dimethyl-4-[1-(pyridin-2-ylmethoxy)ethoxy]pyridine is Cc1nccc(OC(C)OCc2ccccn2)c1C.
What is the InChIKey of 2,3-dimethyl-4-[1-(pyridin-2-ylmethoxy)ethoxy]pyridine?
The InChIKey is QUBFHSXTZYVZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-12(2)16-9-7-15(11)19-13(3)18-10-14-6-4-5-8-17-14/h4-9,13H,10H2,1-3H3.
What are the key properties of 2,3-dimethyl-4-[1-(pyridin-2-ylmethoxy)ethoxy]pyridine?
2,3-dimethyl-4-[1-(pyridin-2-ylmethoxy)ethoxy]pyridine has a molecular weight of 258.32 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[1-(pyridin-2-ylmethoxy)ethoxy]pyridine is sourced from PubChem (CID 19600563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).