2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-3-yl]acetic acid

C12H13BrN2O3 — CID 107517164

IUPAC2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2ncccc2Br)C1
InChIInChI=1S/C12H13BrN2O3/c13-9-2-1-4-14-11(9)12(18)15-5-3-8(7-15)6-10(16)17/h1-2,4,8H,3,5-7H2,(H,16,17)
InChIKeyCUMCSECTDYNOSA-UHFFFAOYSA-N
MW313.15 g/mol
LogP1.78
Rot. Bonds3

About 2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-3-yl]acetic acid

2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-3-yl]acetic acid (PubChem CID 107517164) has the molecular formula C12H13BrN2O3 and a molecular weight of 313.15 g/mol. Its IUPAC name is 2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-3-yl]acetic acid
PubChem CID107517164
Molecular FormulaC12H13BrN2O3
Molecular Weight313.15 g/mol
Exact Mass312.01
IUPAC Name2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2ncccc2Br)C1
InChIInChI=1S/C12H13BrN2O3/c13-9-2-1-4-14-11(9)12(18)15-5-3-8(7-15)6-10(16)17/h1-2,4,8H,3,5-7H2,(H,16,17)
InChIKeyCUMCSECTDYNOSA-UHFFFAOYSA-N
XLogP1.78
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromopyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107517086
[3-(bromomethyl)piperidin-1-yl]-(3-bromo-2-pyridinyl)methanone
CID 107526191
(3-bromo-2-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 107517939
(3-bromo-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 107518959
(3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 66715242
2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 55248178
3-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217819
(3-bromo-2-pyridinyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 107519186
(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
2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 113227915
(3-hydroxy-2-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 62205969

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-3-yl]acetic acid (CID 107517164) is 2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-3-yl]acetic acid is O=C(O)CC1CCN(C(=O)c2ncccc2Br)C1.
What is the InChIKey of 2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-3-yl]acetic acid?
The InChIKey is CUMCSECTDYNOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O3/c13-9-2-1-4-14-11(9)12(18)15-5-3-8(7-15)6-10(16)17/h1-2,4,8H,3,5-7H2,(H,16,17).
What are the key properties of 2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-3-yl]acetic acid?
2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-3-yl]acetic acid has a molecular weight of 313.15 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 107517164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).