3-(2,3-dichlorophenyl)-6-[(2R,5S)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]pyridazine

C16H15Cl2N3 — CID 46226429

IUPAC3-(2,3-dichlorophenyl)-6-[(2R,5S)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]pyridazine
SMILESC[C@@H]1C=C[C@H](C)N1c1ccc(-c2cccc(Cl)c2Cl)nn1
InChIInChI=1S/C16H15Cl2N3/c1-10-6-7-11(2)21(10)15-9-8-14(19-20-15)12-4-3-5-13(17)16(12)18/h3-11H,1-2H3/t10-,11+
InChIKeySWMZUZLACLTWNE-PHIMTYICSA-N
MW320.22 g/mol
LogP4.60
Rot. Bonds2

About 3-(2,3-dichlorophenyl)-6-[(2R,5S)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]pyridazine

3-(2,3-dichlorophenyl)-6-[(2R,5S)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]pyridazine (PubChem CID 46226429) has the molecular formula C16H15Cl2N3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-6-[(2R,5S)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]pyridazine.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-6-[(2R,5S)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]pyridazine
PubChem CID46226429
Molecular FormulaC16H15Cl2N3
Molecular Weight320.22 g/mol
Exact Mass319.06
IUPAC Name3-(2,3-dichlorophenyl)-6-[(2R,5S)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]pyridazine
SMILESC[C@@H]1C=C[C@H](C)N1c1ccc(-c2cccc(Cl)c2Cl)nn1
InChIInChI=1S/C16H15Cl2N3/c1-10-6-7-11(2)21(10)15-9-8-14(19-20-15)12-4-3-5-13(17)16(12)18/h3-11H,1-2H3/t10-,11+
InChIKeySWMZUZLACLTWNE-PHIMTYICSA-N
XLogP4.60
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-6-[(2R,5S)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]pyridazine?
The IUPAC name of 3-(2,3-dichlorophenyl)-6-[(2R,5S)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]pyridazine (CID 46226429) is 3-(2,3-dichlorophenyl)-6-[(2R,5S)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]pyridazine.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-6-[(2R,5S)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]pyridazine?
The canonical SMILES for 3-(2,3-dichlorophenyl)-6-[(2R,5S)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]pyridazine is C[C@@H]1C=C[C@H](C)N1c1ccc(-c2cccc(Cl)c2Cl)nn1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-6-[(2R,5S)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]pyridazine?
The InChIKey is SWMZUZLACLTWNE-PHIMTYICSA-N. The full InChI is InChI=1S/C16H15Cl2N3/c1-10-6-7-11(2)21(10)15-9-8-14(19-20-15)12-4-3-5-13(17)16(12)18/h3-11H,1-2H3/t10-,11+.
What are the key properties of 3-(2,3-dichlorophenyl)-6-[(2R,5S)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]pyridazine?
3-(2,3-dichlorophenyl)-6-[(2R,5S)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]pyridazine has a molecular weight of 320.22 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-6-[(2R,5S)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]pyridazine is sourced from PubChem (CID 46226429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).