2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine

C12H15BrFNO2 — CID 117489210

IUPAC2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine
SMILESCOc1c(C2CCCN2)cc(Br)c(F)c1OC
InChIInChI=1S/C12H15BrFNO2/c1-16-11-7(9-4-3-5-15-9)6-8(13)10(14)12(11)17-2/h6,9,15H,3-5H2,1-2H3
InChIKeyDDUUGSGMBGXDAY-UHFFFAOYSA-N
MW304.16 g/mol
LogP3.03
Rot. Bonds3

About 2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine

2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine (PubChem CID 117489210) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is 2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine
PubChem CID117489210
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine
SMILESCOc1c(C2CCCN2)cc(Br)c(F)c1OC
InChIInChI=1S/C12H15BrFNO2/c1-16-11-7(9-4-3-5-15-9)6-8(13)10(14)12(11)17-2/h6,9,15H,3-5H2,1-2H3
InChIKeyDDUUGSGMBGXDAY-UHFFFAOYSA-N
XLogP3.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dibromo-2-methoxyphenyl)pyrrolidine
CID 3973161
2-(5-bromo-3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 117483291
(2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine
CID 66518820
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)pyrrolidine
CID 84706284
2-(5-bromo-2-methoxy-3-methylphenyl)pyrrolidine
CID 117428409
2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine
CID 84814359
2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]piperidine
CID 117486581
2-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)pyrrolidine
CID 117355654
2-fluoro-3,4-dimethoxy-6-pyrrolidin-2-ylphenol
CID 117354943
2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)pyrrolidine
CID 117403491
4-bromo-3-fluoro-2-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117489195
(2S)-2-(2-bromo-4,5-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 171196222

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine?
The IUPAC name of 2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine (CID 117489210) is 2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine.
What is the SMILES notation for 2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine?
The canonical SMILES for 2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine is COc1c(C2CCCN2)cc(Br)c(F)c1OC.
What is the InChIKey of 2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine?
The InChIKey is DDUUGSGMBGXDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-16-11-7(9-4-3-5-15-9)6-8(13)10(14)12(11)17-2/h6,9,15H,3-5H2,1-2H3.
What are the key properties of 2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine?
2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine has a molecular weight of 304.16 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine is sourced from PubChem (CID 117489210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).