1-(4-bromo-2-chloro-5-methoxyphenyl)pyrrolidine

C11H13BrClNO — CID 168512756

IUPAC1-(4-bromo-2-chloro-5-methoxyphenyl)pyrrolidine
SMILESCOc1cc(N2CCCC2)c(Cl)cc1Br
InChIInChI=1S/C11H13BrClNO/c1-15-11-7-10(9(13)6-8(11)12)14-4-2-3-5-14/h6-7H,2-5H2,1H3
InChIKeyDYVCBGKXNYVKDU-UHFFFAOYSA-N
MW290.59 g/mol
LogP3.71
Rot. Bonds2

About 1-(4-bromo-2-chloro-5-methoxyphenyl)pyrrolidine

1-(4-bromo-2-chloro-5-methoxyphenyl)pyrrolidine (PubChem CID 168512756) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is 1-(4-bromo-2-chloro-5-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(4-bromo-2-chloro-5-methoxyphenyl)pyrrolidine
PubChem CID168512756
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC Name1-(4-bromo-2-chloro-5-methoxyphenyl)pyrrolidine
SMILESCOc1cc(N2CCCC2)c(Cl)cc1Br
InChIInChI=1S/C11H13BrClNO/c1-15-11-7-10(9(13)6-8(11)12)14-4-2-3-5-14/h6-7H,2-5H2,1H3
InChIKeyDYVCBGKXNYVKDU-UHFFFAOYSA-N
XLogP3.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chloro-5-methoxyphenyl)pyrrolidine?
The IUPAC name of 1-(4-bromo-2-chloro-5-methoxyphenyl)pyrrolidine (CID 168512756) is 1-(4-bromo-2-chloro-5-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 1-(4-bromo-2-chloro-5-methoxyphenyl)pyrrolidine?
The canonical SMILES for 1-(4-bromo-2-chloro-5-methoxyphenyl)pyrrolidine is COc1cc(N2CCCC2)c(Cl)cc1Br.
What is the InChIKey of 1-(4-bromo-2-chloro-5-methoxyphenyl)pyrrolidine?
The InChIKey is DYVCBGKXNYVKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO/c1-15-11-7-10(9(13)6-8(11)12)14-4-2-3-5-14/h6-7H,2-5H2,1H3.
What are the key properties of 1-(4-bromo-2-chloro-5-methoxyphenyl)pyrrolidine?
1-(4-bromo-2-chloro-5-methoxyphenyl)pyrrolidine has a molecular weight of 290.59 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chloro-5-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 168512756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).