3-chloro-6-[[(3R)-piperidin-3-yl]oxymethyl]pyridazine

C10H14ClN3O — CID 71640793

IUPAC3-chloro-6-[[(3R)-piperidin-3-yl]oxymethyl]pyridazine
SMILESClc1ccc(CO[C@@H]2CCCNC2)nn1
InChIInChI=1S/C10H14ClN3O/c11-10-4-3-8(13-14-10)7-15-9-2-1-5-12-6-9/h3-4,9,12H,1-2,5-7H2/t9-/m1/s1
InChIKeyHFSYPHAAJJARRE-SECBINFHSA-N
MW227.69 g/mol
LogP1.40
Rot. Bonds3

About 3-chloro-6-[[(3R)-piperidin-3-yl]oxymethyl]pyridazine

3-chloro-6-[[(3R)-piperidin-3-yl]oxymethyl]pyridazine (PubChem CID 71640793) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-chloro-6-[[(3R)-piperidin-3-yl]oxymethyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[[(3R)-piperidin-3-yl]oxymethyl]pyridazine
PubChem CID71640793
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name3-chloro-6-[[(3R)-piperidin-3-yl]oxymethyl]pyridazine
SMILESClc1ccc(CO[C@@H]2CCCNC2)nn1
InChIInChI=1S/C10H14ClN3O/c11-10-4-3-8(13-14-10)7-15-9-2-1-5-12-6-9/h3-4,9,12H,1-2,5-7H2/t9-/m1/s1
InChIKeyHFSYPHAAJJARRE-SECBINFHSA-N
XLogP1.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[[(3R)-piperidin-3-yl]oxymethyl]pyridazine?
The IUPAC name of 3-chloro-6-[[(3R)-piperidin-3-yl]oxymethyl]pyridazine (CID 71640793) is 3-chloro-6-[[(3R)-piperidin-3-yl]oxymethyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[[(3R)-piperidin-3-yl]oxymethyl]pyridazine?
The canonical SMILES for 3-chloro-6-[[(3R)-piperidin-3-yl]oxymethyl]pyridazine is Clc1ccc(CO[C@@H]2CCCNC2)nn1.
What is the InChIKey of 3-chloro-6-[[(3R)-piperidin-3-yl]oxymethyl]pyridazine?
The InChIKey is HFSYPHAAJJARRE-SECBINFHSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-10-4-3-8(13-14-10)7-15-9-2-1-5-12-6-9/h3-4,9,12H,1-2,5-7H2/t9-/m1/s1.
What are the key properties of 3-chloro-6-[[(3R)-piperidin-3-yl]oxymethyl]pyridazine?
3-chloro-6-[[(3R)-piperidin-3-yl]oxymethyl]pyridazine has a molecular weight of 227.69 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[[(3R)-piperidin-3-yl]oxymethyl]pyridazine is sourced from PubChem (CID 71640793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).