(2R)-2-(2,3,6-trichlorophenyl)pyrrolidine;hydrochloride

C10H11Cl4N — CID 171196089

IUPAC(2R)-2-(2,3,6-trichlorophenyl)pyrrolidine;hydrochloride
SMILESCl.Clc1ccc(Cl)c([C@H]2CCCN2)c1Cl
InChIInChI=1S/C10H10Cl3N.ClH/c11-6-3-4-7(12)10(13)9(6)8-2-1-5-14-8;/h3-4,8,14H,1-2,5H2;1H/t8-;/m1./s1
InChIKeyZSPIAWDJQQDGAG-DDWIOCJRSA-N
MW287.02 g/mol
LogP4.49
Rot. Bonds1

About (2R)-2-(2,3,6-trichlorophenyl)pyrrolidine;hydrochloride

(2R)-2-(2,3,6-trichlorophenyl)pyrrolidine;hydrochloride (PubChem CID 171196089) has the molecular formula C10H11Cl4N and a molecular weight of 287.02 g/mol. Its IUPAC name is (2R)-2-(2,3,6-trichlorophenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(2,3,6-trichlorophenyl)pyrrolidine;hydrochloride
PubChem CID171196089
Molecular FormulaC10H11Cl4N
Molecular Weight287.02 g/mol
Exact Mass284.96
IUPAC Name(2R)-2-(2,3,6-trichlorophenyl)pyrrolidine;hydrochloride
SMILESCl.Clc1ccc(Cl)c([C@H]2CCCN2)c1Cl
InChIInChI=1S/C10H10Cl3N.ClH/c11-6-3-4-7(12)10(13)9(6)8-2-1-5-14-8;/h3-4,8,14H,1-2,5H2;1H/t8-;/m1./s1
InChIKeyZSPIAWDJQQDGAG-DDWIOCJRSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.02
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2,3,6-trichlorophenyl)pyrrolidine
CID 130622124
(2R)-2-(2,3,6-trichlorophenyl)piperazine;hydrochloride
CID 171194627
(2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride
CID 171196413
6-bromo-3-chloro-2-[(2S)-pyrrolidin-2-yl]phenol
CID 131173682
(2R)-2-(2-bromo-6-chloro-3-fluorophenyl)pyrrolidine
CID 131096633
(2R)-2-(2,3,6-trichlorophenyl)piperazine
CID 171194626
(2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride
CID 171194835
2-(6-chloro-4H-1,3-benzodioxin-5-yl)pyrrolidine
CID 84701571
(2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride
CID 171196031
(2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196289
3,5-dichloro-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196064
(2S)-2-(2,6-dichlorophenyl)azetidine;hydrochloride
CID 171196615

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3,6-trichlorophenyl)pyrrolidine;hydrochloride?
The IUPAC name of (2R)-2-(2,3,6-trichlorophenyl)pyrrolidine;hydrochloride (CID 171196089) is (2R)-2-(2,3,6-trichlorophenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for (2R)-2-(2,3,6-trichlorophenyl)pyrrolidine;hydrochloride?
The canonical SMILES for (2R)-2-(2,3,6-trichlorophenyl)pyrrolidine;hydrochloride is Cl.Clc1ccc(Cl)c([C@H]2CCCN2)c1Cl.
What is the InChIKey of (2R)-2-(2,3,6-trichlorophenyl)pyrrolidine;hydrochloride?
The InChIKey is ZSPIAWDJQQDGAG-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H10Cl3N.ClH/c11-6-3-4-7(12)10(13)9(6)8-2-1-5-14-8;/h3-4,8,14H,1-2,5H2;1H/t8-;/m1./s1.
What are the key properties of (2R)-2-(2,3,6-trichlorophenyl)pyrrolidine;hydrochloride?
(2R)-2-(2,3,6-trichlorophenyl)pyrrolidine;hydrochloride has a molecular weight of 287.02 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3,6-trichlorophenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 171196089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).