1-(2,4-dibromo-6-chloro-3-methoxyphenyl)pyrrolidine

C11H12Br2ClNO — CID 168512911

IUPAC1-(2,4-dibromo-6-chloro-3-methoxyphenyl)pyrrolidine
SMILESCOc1c(Br)cc(Cl)c(N2CCCC2)c1Br
InChIInChI=1S/C11H12Br2ClNO/c1-16-11-7(12)6-8(14)10(9(11)13)15-4-2-3-5-15/h6H,2-5H2,1H3
InChIKeyPRMWCJYSVPNSQH-UHFFFAOYSA-N
MW369.48 g/mol
LogP4.47
Rot. Bonds2

About 1-(2,4-dibromo-6-chloro-3-methoxyphenyl)pyrrolidine

1-(2,4-dibromo-6-chloro-3-methoxyphenyl)pyrrolidine (PubChem CID 168512911) has the molecular formula C11H12Br2ClNO and a molecular weight of 369.48 g/mol. Its IUPAC name is 1-(2,4-dibromo-6-chloro-3-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(2,4-dibromo-6-chloro-3-methoxyphenyl)pyrrolidine
PubChem CID168512911
Molecular FormulaC11H12Br2ClNO
Molecular Weight369.48 g/mol
Exact Mass366.90
IUPAC Name1-(2,4-dibromo-6-chloro-3-methoxyphenyl)pyrrolidine
SMILESCOc1c(Br)cc(Cl)c(N2CCCC2)c1Br
InChIInChI=1S/C11H12Br2ClNO/c1-16-11-7(12)6-8(14)10(9(11)13)15-4-2-3-5-15/h6H,2-5H2,1H3
InChIKeyPRMWCJYSVPNSQH-UHFFFAOYSA-N
XLogP4.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromo-6-chloro-3-methoxyphenyl)pyrrolidine?
The IUPAC name of 1-(2,4-dibromo-6-chloro-3-methoxyphenyl)pyrrolidine (CID 168512911) is 1-(2,4-dibromo-6-chloro-3-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 1-(2,4-dibromo-6-chloro-3-methoxyphenyl)pyrrolidine?
The canonical SMILES for 1-(2,4-dibromo-6-chloro-3-methoxyphenyl)pyrrolidine is COc1c(Br)cc(Cl)c(N2CCCC2)c1Br.
What is the InChIKey of 1-(2,4-dibromo-6-chloro-3-methoxyphenyl)pyrrolidine?
The InChIKey is PRMWCJYSVPNSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2ClNO/c1-16-11-7(12)6-8(14)10(9(11)13)15-4-2-3-5-15/h6H,2-5H2,1H3.
What are the key properties of 1-(2,4-dibromo-6-chloro-3-methoxyphenyl)pyrrolidine?
1-(2,4-dibromo-6-chloro-3-methoxyphenyl)pyrrolidine has a molecular weight of 369.48 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromo-6-chloro-3-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 168512911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).