3-chloro-6-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]pyridazine

C15H15ClN2O3 — CID 10018060

IUPAC3-chloro-6-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]pyridazine
SMILESClc1ccc(OCCc2ccc(OCC3CO3)cc2)nn1
InChIInChI=1S/C15H15ClN2O3/c16-14-5-6-15(18-17-14)19-8-7-11-1-3-12(4-2-11)20-9-13-10-21-13/h1-6,13H,7-10H2
InChIKeyXSLWQILUBWICHW-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.53
Rot. Bonds7

About 3-chloro-6-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]pyridazine

3-chloro-6-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]pyridazine (PubChem CID 10018060) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-chloro-6-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]pyridazine
PubChem CID10018060
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name3-chloro-6-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]pyridazine
SMILESClc1ccc(OCCc2ccc(OCC3CO3)cc2)nn1
InChIInChI=1S/C15H15ClN2O3/c16-14-5-6-15(18-17-14)19-8-7-11-1-3-12(4-2-11)20-9-13-10-21-13/h1-6,13H,7-10H2
InChIKeyXSLWQILUBWICHW-UHFFFAOYSA-N
XLogP2.53
TPSA56.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-chloro-5-(oxiran-2-ylmethoxy)pyridine
CID 87132450
2-[4-(oxiran-2-ylmethoxy)phenyl]ethyl-tritritiosilane
CID 140880612
2-[[4-[2-(4-chlorophenyl)ethyl]phenoxy]methoxymethyl]oxirane
CID 59790958
CID 59015330
CID 59015330
trimethoxy-[3-[4-(oxiran-2-ylmethoxy)phenyl]propyl]silane
CID 139921283
3-chloro-6-(oxan-2-ylmethoxy)pyridazine
CID 24688626
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
2-[(4-decylphenoxy)methyl]oxirane
CID 57169854
trimethoxy-[4-[4-(oxiran-2-ylmethoxy)phenyl]butyl]silane
CID 139921264
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430
ethane;2-[(4-ethylphenoxy)methyl]oxirane
CID 156746927

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]pyridazine?
The IUPAC name of 3-chloro-6-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]pyridazine (CID 10018060) is 3-chloro-6-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]pyridazine.
What is the SMILES notation for 3-chloro-6-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]pyridazine?
The canonical SMILES for 3-chloro-6-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]pyridazine is Clc1ccc(OCCc2ccc(OCC3CO3)cc2)nn1.
What is the InChIKey of 3-chloro-6-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]pyridazine?
The InChIKey is XSLWQILUBWICHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-14-5-6-15(18-17-14)19-8-7-11-1-3-12(4-2-11)20-9-13-10-21-13/h1-6,13H,7-10H2.
What are the key properties of 3-chloro-6-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]pyridazine?
3-chloro-6-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]pyridazine has a molecular weight of 306.75 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]pyridazine is sourced from PubChem (CID 10018060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).