1-(3-bromopyridine-2-carbonyl)pyrrolidine-3-carboxylic acid

C11H11BrN2O3 — CID 107517086

IUPAC1-(3-bromopyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ncccc2Br)C1
InChIInChI=1S/C11H11BrN2O3/c12-8-2-1-4-13-9(8)10(15)14-5-3-7(6-14)11(16)17/h1-2,4,7H,3,5-6H2,(H,16,17)
InChIKeyJXJBOSVACRQANA-UHFFFAOYSA-N
MW299.12 g/mol
LogP1.39
Rot. Bonds2

About 1-(3-bromopyridine-2-carbonyl)pyrrolidine-3-carboxylic acid

1-(3-bromopyridine-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 107517086) has the molecular formula C11H11BrN2O3 and a molecular weight of 299.12 g/mol. Its IUPAC name is 1-(3-bromopyridine-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromopyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID107517086
Molecular FormulaC11H11BrN2O3
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Name1-(3-bromopyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ncccc2Br)C1
InChIInChI=1S/C11H11BrN2O3/c12-8-2-1-4-13-9(8)10(15)14-5-3-7(6-14)11(16)17/h1-2,4,7H,3,5-6H2,(H,16,17)
InChIKeyJXJBOSVACRQANA-UHFFFAOYSA-N
XLogP1.39
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 107518959
2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-3-yl]acetic acid
CID 107517164
(3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 66715242
1-(3-bromopyridine-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
CID 107525417
[3-(bromomethyl)piperidin-1-yl]-(3-bromo-2-pyridinyl)methanone
CID 107526191
(3-bromo-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 107517750
(3-bromo-2-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 107517939
(3-bromo-2-pyridinyl)-(2-phenylmorpholin-4-yl)methanone
CID 107518605
(3-bromo-2-pyridinyl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone
CID 128974411
(3-bromo-2-pyridinyl)-[(1S,6S)-6-methyl-1-oxo-1,4-thiazepan-4-yl]methanone
CID 129480875
(3-bromo-2-pyridinyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 107519186
N-[1-(3-bromopyridine-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 107518487

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopyridine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-bromopyridine-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 107517086) is 1-(3-bromopyridine-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-bromopyridine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-bromopyridine-2-carbonyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)c2ncccc2Br)C1.
What is the InChIKey of 1-(3-bromopyridine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is JXJBOSVACRQANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3/c12-8-2-1-4-13-9(8)10(15)14-5-3-7(6-14)11(16)17/h1-2,4,7H,3,5-6H2,(H,16,17).
What are the key properties of 1-(3-bromopyridine-2-carbonyl)pyrrolidine-3-carboxylic acid?
1-(3-bromopyridine-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 299.12 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopyridine-2-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107517086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).