3-(bromomethyl)-5-(3-chlorophenyl)pyrazolidine

C10H12BrClN2 — CID 75132562

IUPAC3-(bromomethyl)-5-(3-chlorophenyl)pyrazolidine
SMILESClc1cccc(C2CC(CBr)NN2)c1
InChIInChI=1S/C10H12BrClN2/c11-6-9-5-10(14-13-9)7-2-1-3-8(12)4-7/h1-4,9-10,13-14H,5-6H2
InChIKeyAXRAAXNMQFQXQC-UHFFFAOYSA-N
MW275.58 g/mol
LogP2.64
Rot. Bonds2

About 3-(bromomethyl)-5-(3-chlorophenyl)pyrazolidine

3-(bromomethyl)-5-(3-chlorophenyl)pyrazolidine (PubChem CID 75132562) has the molecular formula C10H12BrClN2 and a molecular weight of 275.58 g/mol. Its IUPAC name is 3-(bromomethyl)-5-(3-chlorophenyl)pyrazolidine.

Molecular Properties

Compound Name3-(bromomethyl)-5-(3-chlorophenyl)pyrazolidine
PubChem CID75132562
Molecular FormulaC10H12BrClN2
Molecular Weight275.58 g/mol
Exact Mass273.99
IUPAC Name3-(bromomethyl)-5-(3-chlorophenyl)pyrazolidine
SMILESClc1cccc(C2CC(CBr)NN2)c1
InChIInChI=1S/C10H12BrClN2/c11-6-9-5-10(14-13-9)7-2-1-3-8(12)4-7/h1-4,9-10,13-14H,5-6H2
InChIKeyAXRAAXNMQFQXQC-UHFFFAOYSA-N
XLogP2.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.58
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-5-(3-chlorophenyl)pyrazolidine?
The IUPAC name of 3-(bromomethyl)-5-(3-chlorophenyl)pyrazolidine (CID 75132562) is 3-(bromomethyl)-5-(3-chlorophenyl)pyrazolidine.
What is the SMILES notation for 3-(bromomethyl)-5-(3-chlorophenyl)pyrazolidine?
The canonical SMILES for 3-(bromomethyl)-5-(3-chlorophenyl)pyrazolidine is Clc1cccc(C2CC(CBr)NN2)c1.
What is the InChIKey of 3-(bromomethyl)-5-(3-chlorophenyl)pyrazolidine?
The InChIKey is AXRAAXNMQFQXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2/c11-6-9-5-10(14-13-9)7-2-1-3-8(12)4-7/h1-4,9-10,13-14H,5-6H2.
What are the key properties of 3-(bromomethyl)-5-(3-chlorophenyl)pyrazolidine?
3-(bromomethyl)-5-(3-chlorophenyl)pyrazolidine has a molecular weight of 275.58 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-(3-chlorophenyl)pyrazolidine is sourced from PubChem (CID 75132562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).