3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine;oxalic acid

C11H14ClN3O5 — CID 21309714

IUPAC3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine;oxalic acid
SMILESCN1CC[C@H]1COc1ccc(Cl)nn1.O=C(O)C(=O)O
InChIInChI=1S/C9H12ClN3O.C2H2O4/c1-13-5-4-7(13)6-14-9-3-2-8(10)11-12-9;3-1(4)2(5)6/h2-3,7H,4-6H2,1H3;(H,3,4)(H,5,6)/t7-;/m0./s1
InChIKeyBSIGOBQQMJSNRX-FJXQXJEOSA-N
MW303.70 g/mol
LogP0.37
Rot. Bonds3

About 3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine;oxalic acid

3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine;oxalic acid (PubChem CID 21309714) has the molecular formula C11H14ClN3O5 and a molecular weight of 303.70 g/mol. Its IUPAC name is 3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine;oxalic acid.

Molecular Properties

Compound Name3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine;oxalic acid
PubChem CID21309714
Molecular FormulaC11H14ClN3O5
Molecular Weight303.70 g/mol
Exact Mass303.06
IUPAC Name3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine;oxalic acid
SMILESCN1CC[C@H]1COc1ccc(Cl)nn1.O=C(O)C(=O)O
InChIInChI=1S/C9H12ClN3O.C2H2O4/c1-13-5-4-7(13)6-14-9-3-2-8(10)11-12-9;3-1(4)2(5)6/h2-3,7H,4-6H2,1H3;(H,3,4)(H,5,6)/t7-;/m0./s1
InChIKeyBSIGOBQQMJSNRX-FJXQXJEOSA-N
XLogP0.37
TPSA112.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.70
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine;oxalic acid?
The IUPAC name of 3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine;oxalic acid (CID 21309714) is 3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine;oxalic acid.
What is the SMILES notation for 3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine;oxalic acid?
The canonical SMILES for 3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine;oxalic acid is CN1CC[C@H]1COc1ccc(Cl)nn1.O=C(O)C(=O)O.
What is the InChIKey of 3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine;oxalic acid?
The InChIKey is BSIGOBQQMJSNRX-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H12ClN3O.C2H2O4/c1-13-5-4-7(13)6-14-9-3-2-8(10)11-12-9;3-1(4)2(5)6/h2-3,7H,4-6H2,1H3;(H,3,4)(H,5,6)/t7-;/m0./s1.
What are the key properties of 3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine;oxalic acid?
3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine;oxalic acid has a molecular weight of 303.70 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine;oxalic acid is sourced from PubChem (CID 21309714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).