1-(3-bromo-2-methyl-4-pyridinyl)pyrrolidine-2-carboxylic acid

C11H13BrN2O2 — CID 154779506

IUPAC1-(3-bromo-2-methyl-4-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESCc1nccc(N2CCCC2C(=O)O)c1Br
InChIInChI=1S/C11H13BrN2O2/c1-7-10(12)8(4-5-13-7)14-6-2-3-9(14)11(15)16/h4-5,9H,2-3,6H2,1H3,(H,15,16)
InChIKeyFWIUREBYKHMMIM-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.21
Rot. Bonds2

About 1-(3-bromo-2-methyl-4-pyridinyl)pyrrolidine-2-carboxylic acid

1-(3-bromo-2-methyl-4-pyridinyl)pyrrolidine-2-carboxylic acid (PubChem CID 154779506) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 1-(3-bromo-2-methyl-4-pyridinyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromo-2-methyl-4-pyridinyl)pyrrolidine-2-carboxylic acid
PubChem CID154779506
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name1-(3-bromo-2-methyl-4-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESCc1nccc(N2CCCC2C(=O)O)c1Br
InChIInChI=1S/C11H13BrN2O2/c1-7-10(12)8(4-5-13-7)14-6-2-3-9(14)11(15)16/h4-5,9H,2-3,6H2,1H3,(H,15,16)
InChIKeyFWIUREBYKHMMIM-UHFFFAOYSA-N
XLogP2.21
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856
(2S)-1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059764
1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122058852
1-(8-bromo-5-fluoroquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122058757
(2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965105
(2R)-1-(1,5-naphthyridin-4-yl)pyrrolidine-2-carboxylic acid
CID 122051669
(2S)-1-(8-methoxyquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059647
(2S)-1-(8-chloroquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059656
(2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965092
1-(2-methylpyrimidin-5-yl)pyrrolidine-2-carboxylic acid
CID 112709125
(2S)-1-(4-methylphenyl)pyrrolidine-2-carboxylic acid
CID 131562941

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methyl-4-pyridinyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-bromo-2-methyl-4-pyridinyl)pyrrolidine-2-carboxylic acid (CID 154779506) is 1-(3-bromo-2-methyl-4-pyridinyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-bromo-2-methyl-4-pyridinyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-bromo-2-methyl-4-pyridinyl)pyrrolidine-2-carboxylic acid is Cc1nccc(N2CCCC2C(=O)O)c1Br.
What is the InChIKey of 1-(3-bromo-2-methyl-4-pyridinyl)pyrrolidine-2-carboxylic acid?
The InChIKey is FWIUREBYKHMMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-7-10(12)8(4-5-13-7)14-6-2-3-9(14)11(15)16/h4-5,9H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 1-(3-bromo-2-methyl-4-pyridinyl)pyrrolidine-2-carboxylic acid?
1-(3-bromo-2-methyl-4-pyridinyl)pyrrolidine-2-carboxylic acid has a molecular weight of 285.14 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methyl-4-pyridinyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 154779506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).