(2R)-2-bromo-2-pyridin-3-ylacetic acid

C7H6BrNO2 — CID 95212347

IUPAC(2R)-2-bromo-2-pyridin-3-ylacetic acid
SMILESO=C(O)[C@H](Br)c1cccnc1
InChIInChI=1S/C7H6BrNO2/c8-6(7(10)11)5-2-1-3-9-4-5/h1-4,6H,(H,10,11)/t6-/m1/s1
InChIKeyXNFYGOWELTWTOT-ZCFIWIBFSA-N
MW216.03 g/mol
LogP1.60
Rot. Bonds2

About (2R)-2-bromo-2-pyridin-3-ylacetic acid

(2R)-2-bromo-2-pyridin-3-ylacetic acid (PubChem CID 95212347) has the molecular formula C7H6BrNO2 and a molecular weight of 216.03 g/mol. Its IUPAC name is (2R)-2-bromo-2-pyridin-3-ylacetic acid.

Molecular Properties

Compound Name(2R)-2-bromo-2-pyridin-3-ylacetic acid
PubChem CID95212347
Molecular FormulaC7H6BrNO2
Molecular Weight216.03 g/mol
Exact Mass214.96
IUPAC Name(2R)-2-bromo-2-pyridin-3-ylacetic acid
SMILESO=C(O)[C@H](Br)c1cccnc1
InChIInChI=1S/C7H6BrNO2/c8-6(7(10)11)5-2-1-3-9-4-5/h1-4,6H,(H,10,11)/t6-/m1/s1
InChIKeyXNFYGOWELTWTOT-ZCFIWIBFSA-N
XLogP1.60
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.03
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (2R)-2-bromo-2-pyridin-3-ylacetic 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

methyl 3-bromo-2-oxo-3-pyridin-3-ylpropanoate
CID 23590816
2-bromo-1-(4-methylphenyl)-2-pyridin-3-ylethanone
CID 22282292
tert-butyl 2-bromo-2-pyridin-3-ylacetate
CID 19746660
2-bromo-1-(4-hydroxyphenyl)-2-pyridin-3-ylethanone;hydrobromide
CID 22282382
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
2-amino-3-pyridin-3-ylbutanoic acid
CID 83906430
2-bromo-1-(3-chlorophenyl)-2-pyridin-3-ylethanone;hydrobromide
CID 22282365
2,2-dipyridin-3-ylethanol
CID 57450821
(2S,3S)-4-methyl-3-phenyl-2-pyridin-3-ylpentanoic acid
CID 125491492
2-(diethylamino)-2-pyridin-3-ylacetic acid
CID 43803724
2-pyridin-3-yl-2-pyridin-4-yloxyacetic acid
CID 22714112
3-methyl-2-pyridin-3-ylpentanoic acid
CID 80522853

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-2-pyridin-3-ylacetic acid?
The IUPAC name of (2R)-2-bromo-2-pyridin-3-ylacetic acid (CID 95212347) is (2R)-2-bromo-2-pyridin-3-ylacetic acid.
What is the SMILES notation for (2R)-2-bromo-2-pyridin-3-ylacetic acid?
The canonical SMILES for (2R)-2-bromo-2-pyridin-3-ylacetic acid is O=C(O)[C@H](Br)c1cccnc1.
What is the InChIKey of (2R)-2-bromo-2-pyridin-3-ylacetic acid?
The InChIKey is XNFYGOWELTWTOT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H6BrNO2/c8-6(7(10)11)5-2-1-3-9-4-5/h1-4,6H,(H,10,11)/t6-/m1/s1.
What are the key properties of (2R)-2-bromo-2-pyridin-3-ylacetic acid?
(2R)-2-bromo-2-pyridin-3-ylacetic acid has a molecular weight of 216.03 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-2-pyridin-3-ylacetic acid is sourced from PubChem (CID 95212347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).