(2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid

C11H13BrN2O2 — CID 120965105

IUPAC(2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESCc1nc(N2CCC[C@@H]2C(=O)O)ccc1Br
InChIInChI=1S/C11H13BrN2O2/c1-7-8(12)4-5-10(13-7)14-6-2-3-9(14)11(15)16/h4-5,9H,2-3,6H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyRFYGFQNWEYQJMO-SECBINFHSA-N
MW285.14 g/mol
LogP2.21
Rot. Bonds2

About (2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid

(2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid (PubChem CID 120965105) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is (2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
PubChem CID120965105
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name(2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESCc1nc(N2CCC[C@@H]2C(=O)O)ccc1Br
InChIInChI=1S/C11H13BrN2O2/c1-7-8(12)4-5-10(13-7)14-6-2-3-9(14)11(15)16/h4-5,9H,2-3,6H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyRFYGFQNWEYQJMO-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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Related Compounds

(2S)-1-[5-bromo-6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 122059652
1-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxylic acid
CID 120964839
1-(8-bromoquinolin-2-yl)pyrrolidine-2-carboxylic acid
CID 122058851
1-(6-methylpyridazin-3-yl)pyrrolidine-2-carboxylic acid
CID 82236002
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856
(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857
(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964948
(2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965092
(2S)-1-(6-cyano-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 122059695
1-(5,6-dimethylpyrazin-2-yl)azepane-2-carboxylic acid
CID 114474477
1-(3-bromo-2-methyl-4-pyridinyl)pyrrolidine-2-carboxylic acid
CID 154779506
1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61225686

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid (CID 120965105) is (2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid is Cc1nc(N2CCC[C@@H]2C(=O)O)ccc1Br.
What is the InChIKey of (2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RFYGFQNWEYQJMO-SECBINFHSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-7-8(12)4-5-10(13-7)14-6-2-3-9(14)11(15)16/h4-5,9H,2-3,6H2,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(5-bromo-6-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-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 120965105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).