5-(2,3-dichlorophenyl)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine

C17H18Cl2N2 — CID 45486196

IUPAC5-(2,3-dichlorophenyl)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine
SMILESC[C@@H]1CC[C@H](C)N1c1ccc(-c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C17H18Cl2N2/c1-11-6-7-12(2)21(11)16-9-8-13(10-20-16)14-4-3-5-15(18)17(14)19/h3-5,8-12H,6-7H2,1-2H3/t11-,12+
InChIKeyZDJWHLRTFSYELX-TXEJJXNPSA-N
MW321.25 g/mol
LogP5.43
Rot. Bonds2

About 5-(2,3-dichlorophenyl)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine

5-(2,3-dichlorophenyl)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine (PubChem CID 45486196) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine
PubChem CID45486196
Molecular FormulaC17H18Cl2N2
Molecular Weight321.25 g/mol
Exact Mass320.08
IUPAC Name5-(2,3-dichlorophenyl)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine
SMILESC[C@@H]1CC[C@H](C)N1c1ccc(-c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C17H18Cl2N2/c1-11-6-7-12(2)21(11)16-9-8-13(10-20-16)14-4-3-5-15(18)17(14)19/h3-5,8-12H,6-7H2,1-2H3/t11-,12+
InChIKeyZDJWHLRTFSYELX-TXEJJXNPSA-N
XLogP5.43
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.25
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(2,3-dichlorophenyl)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine?
The IUPAC name of 5-(2,3-dichlorophenyl)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine (CID 45486196) is 5-(2,3-dichlorophenyl)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine?
The canonical SMILES for 5-(2,3-dichlorophenyl)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine is C[C@@H]1CC[C@H](C)N1c1ccc(-c2cccc(Cl)c2Cl)cn1.
What is the InChIKey of 5-(2,3-dichlorophenyl)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine?
The InChIKey is ZDJWHLRTFSYELX-TXEJJXNPSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c1-11-6-7-12(2)21(11)16-9-8-13(10-20-16)14-4-3-5-15(18)17(14)19/h3-5,8-12H,6-7H2,1-2H3/t11-,12+.
What are the key properties of 5-(2,3-dichlorophenyl)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine?
5-(2,3-dichlorophenyl)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine has a molecular weight of 321.25 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine is sourced from PubChem (CID 45486196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).