5-(2-chloro-3-fluorophenyl)pyrrolidine-3-carboxylic acid

C11H11ClFNO2 — CID 117361084

IUPAC5-(2-chloro-3-fluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2cccc(F)c2Cl)C1
InChIInChI=1S/C11H11ClFNO2/c12-10-7(2-1-3-8(10)13)9-4-6(5-14-9)11(15)16/h1-3,6,9,14H,4-5H2,(H,15,16)
InChIKeyVGUNUYBHCXNDFX-UHFFFAOYSA-N
MW243.66 g/mol
LogP2.21
Rot. Bonds2

About 5-(2-chloro-3-fluorophenyl)pyrrolidine-3-carboxylic acid

5-(2-chloro-3-fluorophenyl)pyrrolidine-3-carboxylic acid (PubChem CID 117361084) has the molecular formula C11H11ClFNO2 and a molecular weight of 243.66 g/mol. Its IUPAC name is 5-(2-chloro-3-fluorophenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-chloro-3-fluorophenyl)pyrrolidine-3-carboxylic acid
PubChem CID117361084
Molecular FormulaC11H11ClFNO2
Molecular Weight243.66 g/mol
Exact Mass243.05
IUPAC Name5-(2-chloro-3-fluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2cccc(F)c2Cl)C1
InChIInChI=1S/C11H11ClFNO2/c12-10-7(2-1-3-8(10)13)9-4-6(5-14-9)11(15)16/h1-3,6,9,14H,4-5H2,(H,15,16)
InChIKeyVGUNUYBHCXNDFX-UHFFFAOYSA-N
XLogP2.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.66
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,6-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 117326291
5-(2-chloro-3,6-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 117408913
5-[3-chloro-2-(difluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117441288
5-[4-chloro-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117117066
5-(3-hydroxy-2-methylsulfanylphenyl)pyrrolidine-3-carboxylic acid
CID 117386436
5-[2,3-bis(methylsulfanyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117455786
5-(5-chloro-2,3-difluoro-4-hydroxyphenyl)pyrrolidine-3-carboxylic acid
CID 117445079
5-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine-3-carboxylic acid
CID 117463496
5-(4-fluoro-2-hydroxy-3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117390681
5-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117405342
5-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)pyrrolidine-3-carboxylic acid
CID 117455989
5-(3-chloro-5-fluoro-2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117397530

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-3-fluorophenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(2-chloro-3-fluorophenyl)pyrrolidine-3-carboxylic acid (CID 117361084) is 5-(2-chloro-3-fluorophenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(2-chloro-3-fluorophenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(2-chloro-3-fluorophenyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CNC(c2cccc(F)c2Cl)C1.
What is the InChIKey of 5-(2-chloro-3-fluorophenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is VGUNUYBHCXNDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO2/c12-10-7(2-1-3-8(10)13)9-4-6(5-14-9)11(15)16/h1-3,6,9,14H,4-5H2,(H,15,16).
What are the key properties of 5-(2-chloro-3-fluorophenyl)pyrrolidine-3-carboxylic acid?
5-(2-chloro-3-fluorophenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 243.66 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-3-fluorophenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117361084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).