1-(2,4,5-trichlorophenyl)pyrrolidine

C10H10Cl3N — CID 168512071

IUPAC1-(2,4,5-trichlorophenyl)pyrrolidine
SMILESClc1cc(Cl)c(N2CCCC2)cc1Cl
InChIInChI=1S/C10H10Cl3N/c11-7-5-9(13)10(6-8(7)12)14-3-1-2-4-14/h5-6H,1-4H2
InChIKeyKINHIYJLQSVTFC-UHFFFAOYSA-N
MW250.56 g/mol
LogP4.25
Rot. Bonds1

About 1-(2,4,5-trichlorophenyl)pyrrolidine

1-(2,4,5-trichlorophenyl)pyrrolidine (PubChem CID 168512071) has the molecular formula C10H10Cl3N and a molecular weight of 250.56 g/mol. Its IUPAC name is 1-(2,4,5-trichlorophenyl)pyrrolidine.

Molecular Properties

Compound Name1-(2,4,5-trichlorophenyl)pyrrolidine
PubChem CID168512071
Molecular FormulaC10H10Cl3N
Molecular Weight250.56 g/mol
Exact Mass248.99
IUPAC Name1-(2,4,5-trichlorophenyl)pyrrolidine
SMILESClc1cc(Cl)c(N2CCCC2)cc1Cl
InChIInChI=1S/C10H10Cl3N/c11-7-5-9(13)10(6-8(7)12)14-3-1-2-4-14/h5-6H,1-4H2
InChIKeyKINHIYJLQSVTFC-UHFFFAOYSA-N
XLogP4.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.56
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-piperidin-1-yl-2H-benzimidazole
CID 10585861
1-(2-chloro-5-pyrrolidin-1-ylphenyl)pyrrolidine
CID 23660792
5-chloro-6-piperidin-1-yl-2,3-dihydro-1H-isoindole;hydrochloride
CID 68824080
1-(2,4,5-tripyrrolidin-1-ylphenyl)pyrrolidine
CID 86233327
1-(2-chloro-4-fluorophenyl)piperidine
CID 174904360
6-chloro-5-pyrrolidin-1-yl-2,3-dihydro-1H-indole
CID 82392082
1-(4-bromo-2-chloro-5-methoxyphenyl)pyrrolidine
CID 168512756
3-chloro-N-methyl-4-pyrrolidin-1-ylaniline
CID 91677052
1-(2-chloro-4-isocyanatophenyl)piperidine
CID 169354585
3-cyclopropyl-3-methyl-1-(2,4,5-trichlorophenyl)-1,4-diazepane
CID 64943180
3-chloro-4-piperidin-1-ylbenzoic acid
CID 18956231
4-(azocan-1-yl)-3-chlorobenzoic acid
CID 63088316

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trichlorophenyl)pyrrolidine?
The IUPAC name of 1-(2,4,5-trichlorophenyl)pyrrolidine (CID 168512071) is 1-(2,4,5-trichlorophenyl)pyrrolidine.
What is the SMILES notation for 1-(2,4,5-trichlorophenyl)pyrrolidine?
The canonical SMILES for 1-(2,4,5-trichlorophenyl)pyrrolidine is Clc1cc(Cl)c(N2CCCC2)cc1Cl.
What is the InChIKey of 1-(2,4,5-trichlorophenyl)pyrrolidine?
The InChIKey is KINHIYJLQSVTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3N/c11-7-5-9(13)10(6-8(7)12)14-3-1-2-4-14/h5-6H,1-4H2.
What are the key properties of 1-(2,4,5-trichlorophenyl)pyrrolidine?
1-(2,4,5-trichlorophenyl)pyrrolidine has a molecular weight of 250.56 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trichlorophenyl)pyrrolidine is sourced from PubChem (CID 168512071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).