5-(4-bromo-3-fluorophenyl)pyrrolidine-3-carboxylic acid

C11H11BrFNO2 — CID 117464706

IUPAC5-(4-bromo-3-fluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2ccc(Br)c(F)c2)C1
InChIInChI=1S/C11H11BrFNO2/c12-8-2-1-6(3-9(8)13)10-4-7(5-14-10)11(15)16/h1-3,7,10,14H,4-5H2,(H,15,16)
InChIKeyQTHMHPBZLNFNEZ-UHFFFAOYSA-N
MW288.12 g/mol
LogP2.32
Rot. Bonds2

About 5-(4-bromo-3-fluorophenyl)pyrrolidine-3-carboxylic acid

5-(4-bromo-3-fluorophenyl)pyrrolidine-3-carboxylic acid (PubChem CID 117464706) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is 5-(4-bromo-3-fluorophenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-bromo-3-fluorophenyl)pyrrolidine-3-carboxylic acid
PubChem CID117464706
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC Name5-(4-bromo-3-fluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2ccc(Br)c(F)c2)C1
InChIInChI=1S/C11H11BrFNO2/c12-8-2-1-6(3-9(8)13)10-4-7(5-14-10)11(15)16/h1-3,7,10,14H,4-5H2,(H,15,16)
InChIKeyQTHMHPBZLNFNEZ-UHFFFAOYSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-bromophenyl)pyrrolidine-3-carboxylic acid
CID 82625541
5-(3-ethyl-4-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 117346736
5-(3-bromo-2,6-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 117491075
5-(4-fluoro-3-methylsulfonylphenyl)pyrrolidine-3-carboxylic acid
CID 117463493
5-[3-bromo-4-(methoxymethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117499252
5-(4-methyl-3-methylsulfanylphenyl)pyrrolidine-3-carboxylic acid
CID 117381968
5-[4-(difluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117354565
5-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117467293
5-(3-bromo-2,5-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 117491074
5-(1H-indol-6-yl)pyrrolidine-3-carboxylic acid
CID 117332582
5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid
CID 117439869
5-(2,6-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 117326291

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-fluorophenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(4-bromo-3-fluorophenyl)pyrrolidine-3-carboxylic acid (CID 117464706) is 5-(4-bromo-3-fluorophenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(4-bromo-3-fluorophenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(4-bromo-3-fluorophenyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CNC(c2ccc(Br)c(F)c2)C1.
What is the InChIKey of 5-(4-bromo-3-fluorophenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is QTHMHPBZLNFNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c12-8-2-1-6(3-9(8)13)10-4-7(5-14-10)11(15)16/h1-3,7,10,14H,4-5H2,(H,15,16).
What are the key properties of 5-(4-bromo-3-fluorophenyl)pyrrolidine-3-carboxylic acid?
5-(4-bromo-3-fluorophenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 288.12 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-fluorophenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117464706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).