(2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid

C11H13BrN2O2 — CID 120965092

IUPAC(2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESCc1cc(N2CCC[C@@H]2C(=O)O)ncc1Br
InChIInChI=1S/C11H13BrN2O2/c1-7-5-10(13-6-8(7)12)14-4-2-3-9(14)11(15)16/h5-6,9H,2-4H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyRWWCCIFGESWKAF-SECBINFHSA-N
MW285.14 g/mol
LogP2.21
Rot. Bonds2

About (2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid

(2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid (PubChem CID 120965092) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is (2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
PubChem CID120965092
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name(2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESCc1cc(N2CCC[C@@H]2C(=O)O)ncc1Br
InChIInChI=1S/C11H13BrN2O2/c1-7-5-10(13-6-8(7)12)14-4-2-3-9(14)11(15)16/h5-6,9H,2-4H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyRWWCCIFGESWKAF-SECBINFHSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid (CID 120965092) is (2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid is Cc1cc(N2CCC[C@@H]2C(=O)O)ncc1Br.
What is the InChIKey of (2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RWWCCIFGESWKAF-SECBINFHSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-7-5-10(13-6-8(7)12)14-4-2-3-9(14)11(15)16/h5-6,9H,2-4H2,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(5-bromo-4-methyl-2-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 (2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 120965092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).