3-(5-bromo-3-chloro-2-methoxyphenyl)pyrrolidine

C11H13BrClNO — CID 117469664

IUPAC3-(5-bromo-3-chloro-2-methoxyphenyl)pyrrolidine
SMILESCOc1c(Cl)cc(Br)cc1C1CCNC1
InChIInChI=1S/C11H13BrClNO/c1-15-11-9(7-2-3-14-6-7)4-8(12)5-10(11)13/h4-5,7,14H,2-3,6H2,1H3
InChIKeyDMDJRBVMJCVEBG-UHFFFAOYSA-N
MW290.59 g/mol
LogP3.19
Rot. Bonds2

About 3-(5-bromo-3-chloro-2-methoxyphenyl)pyrrolidine

3-(5-bromo-3-chloro-2-methoxyphenyl)pyrrolidine (PubChem CID 117469664) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is 3-(5-bromo-3-chloro-2-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(5-bromo-3-chloro-2-methoxyphenyl)pyrrolidine
PubChem CID117469664
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC Name3-(5-bromo-3-chloro-2-methoxyphenyl)pyrrolidine
SMILESCOc1c(Cl)cc(Br)cc1C1CCNC1
InChIInChI=1S/C11H13BrClNO/c1-15-11-9(7-2-3-14-6-7)4-8(12)5-10(11)13/h4-5,7,14H,2-3,6H2,1H3
InChIKeyDMDJRBVMJCVEBG-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 117457157
3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine
CID 117331486
3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine
CID 117427657
3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine
CID 117497485
3-(3-bromo-2-methoxy-5-propan-2-ylphenyl)pyrrolidine
CID 117480582
3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine
CID 117387979
3-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine
CID 117495082
3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117352217
3-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)pyrrolidine
CID 117449131
3-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)pyrrolidine
CID 117465146
3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)pyrrolidine
CID 84704148
3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine
CID 82134857

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-chloro-2-methoxyphenyl)pyrrolidine?
The IUPAC name of 3-(5-bromo-3-chloro-2-methoxyphenyl)pyrrolidine (CID 117469664) is 3-(5-bromo-3-chloro-2-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 3-(5-bromo-3-chloro-2-methoxyphenyl)pyrrolidine?
The canonical SMILES for 3-(5-bromo-3-chloro-2-methoxyphenyl)pyrrolidine is COc1c(Cl)cc(Br)cc1C1CCNC1.
What is the InChIKey of 3-(5-bromo-3-chloro-2-methoxyphenyl)pyrrolidine?
The InChIKey is DMDJRBVMJCVEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO/c1-15-11-9(7-2-3-14-6-7)4-8(12)5-10(11)13/h4-5,7,14H,2-3,6H2,1H3.
What are the key properties of 3-(5-bromo-3-chloro-2-methoxyphenyl)pyrrolidine?
3-(5-bromo-3-chloro-2-methoxyphenyl)pyrrolidine has a molecular weight of 290.59 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-chloro-2-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 117469664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).