1-(8-bromo-5-fluoroquinolin-4-yl)pyrrolidine-2-carboxylic acid

C14H12BrFN2O2 — CID 122058757

IUPAC1-(8-bromo-5-fluoroquinolin-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1ccnc2c(Br)ccc(F)c12
InChIInChI=1S/C14H12BrFN2O2/c15-8-3-4-9(16)12-10(5-6-17-13(8)12)18-7-1-2-11(18)14(19)20/h3-6,11H,1-2,7H2,(H,19,20)
InChIKeyYYMCNYHUTSIUKR-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.19
Rot. Bonds2

About 1-(8-bromo-5-fluoroquinolin-4-yl)pyrrolidine-2-carboxylic acid

1-(8-bromo-5-fluoroquinolin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 122058757) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 1-(8-bromo-5-fluoroquinolin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(8-bromo-5-fluoroquinolin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID122058757
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name1-(8-bromo-5-fluoroquinolin-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1ccnc2c(Br)ccc(F)c12
InChIInChI=1S/C14H12BrFN2O2/c15-8-3-4-9(16)12-10(5-6-17-13(8)12)18-7-1-2-11(18)14(19)20/h3-6,11H,1-2,7H2,(H,19,20)
InChIKeyYYMCNYHUTSIUKR-UHFFFAOYSA-N
XLogP3.19
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(1,5-naphthyridin-4-yl)pyrrolidine-2-carboxylic acid
CID 122051669
1-(8-fluoroquinolin-4-yl)piperidine-2-carboxylic acid
CID 71563719
1-(3-bromo-2-methyl-4-pyridinyl)pyrrolidine-2-carboxylic acid
CID 154779506
(2S)-1-(8-chloroquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059656
1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122058852
(2S)-1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059764
(2S)-1-(8-methoxyquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059647
1-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 82538014
1-(6-fluoroquinolin-4-yl)piperidine-2-carboxylic acid
CID 71563717
(2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965105
1-(8-bromoquinolin-2-yl)pyrrolidine-2-carboxylic acid
CID 122058851
(2S)-1-[5-bromo-6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 122059652

Frequently Asked Questions

What is the IUPAC name of 1-(8-bromo-5-fluoroquinolin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(8-bromo-5-fluoroquinolin-4-yl)pyrrolidine-2-carboxylic acid (CID 122058757) is 1-(8-bromo-5-fluoroquinolin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(8-bromo-5-fluoroquinolin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(8-bromo-5-fluoroquinolin-4-yl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1c1ccnc2c(Br)ccc(F)c12.
What is the InChIKey of 1-(8-bromo-5-fluoroquinolin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is YYMCNYHUTSIUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c15-8-3-4-9(16)12-10(5-6-17-13(8)12)18-7-1-2-11(18)14(19)20/h3-6,11H,1-2,7H2,(H,19,20).
What are the key properties of 1-(8-bromo-5-fluoroquinolin-4-yl)pyrrolidine-2-carboxylic acid?
1-(8-bromo-5-fluoroquinolin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 339.16 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-bromo-5-fluoroquinolin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122058757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).