methyl (2R)-2-(6-bromo-2-pyridinyl)-2-hydroxyacetate

C8H8BrNO3 — CID 129394725

IUPACmethyl (2R)-2-(6-bromo-2-pyridinyl)-2-hydroxyacetate
SMILESCOC(=O)[C@H](O)c1cccc(Br)n1
InChIInChI=1S/C8H8BrNO3/c1-13-8(12)7(11)5-3-2-4-6(9)10-5/h2-4,7,11H,1H3/t7-/m1/s1
InChIKeyWEVNLOPLYAJODB-SSDOTTSWSA-N
MW246.06 g/mol
LogP1.05
Rot. Bonds2

About methyl (2R)-2-(6-bromo-2-pyridinyl)-2-hydroxyacetate

methyl (2R)-2-(6-bromo-2-pyridinyl)-2-hydroxyacetate (PubChem CID 129394725) has the molecular formula C8H8BrNO3 and a molecular weight of 246.06 g/mol. Its IUPAC name is methyl (2R)-2-(6-bromo-2-pyridinyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl (2R)-2-(6-bromo-2-pyridinyl)-2-hydroxyacetate
PubChem CID129394725
Molecular FormulaC8H8BrNO3
Molecular Weight246.06 g/mol
Exact Mass244.97
IUPAC Namemethyl (2R)-2-(6-bromo-2-pyridinyl)-2-hydroxyacetate
SMILESCOC(=O)[C@H](O)c1cccc(Br)n1
InChIInChI=1S/C8H8BrNO3/c1-13-8(12)7(11)5-3-2-4-6(9)10-5/h2-4,7,11H,1H3/t7-/m1/s1
InChIKeyWEVNLOPLYAJODB-SSDOTTSWSA-N
XLogP1.05
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-3-amino-3-(6-bromo-2-pyridinyl)-2-hydroxypropanoic acid
CID 131029134
ethyl (3R)-3-amino-3-(6-bromo-2-pyridinyl)-2-fluoropropanoate
CID 171240797
1-(6-bromo-2-pyridinyl)-3-methoxypropan-1-ol
CID 58629904
(1S)-1-(6-bromo-2-pyridinyl)propan-1-ol
CID 124585075
tert-butyl N-[(1S)-1-(6-bromo-2-pyridinyl)ethyl]carbamate
CID 177202082
methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 70818588
(1R,2S)-1-(6-bromo-2-pyridinyl)propane-1,2-diamine
CID 130806151
methyl 2-(3-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 106644466
ethyl 2-[4-[(6-bromo-2-pyridinyl)-hydroxymethyl]triazol-1-yl]acetate
CID 59525849
tert-butyl N-[1-(6-bromo-2-pyridinyl)-2,2,2-trifluoroethyl]carbamate
CID 170577042
methyl 2-hydroxy-2-imidazo[1,2-a]pyridin-2-ylacetate
CID 70818317
methyl 2-(7-bromo-1H-indol-2-yl)-2-hydroxyacetate
CID 115072356

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(6-bromo-2-pyridinyl)-2-hydroxyacetate?
The IUPAC name of methyl (2R)-2-(6-bromo-2-pyridinyl)-2-hydroxyacetate (CID 129394725) is methyl (2R)-2-(6-bromo-2-pyridinyl)-2-hydroxyacetate.
What is the SMILES notation for methyl (2R)-2-(6-bromo-2-pyridinyl)-2-hydroxyacetate?
The canonical SMILES for methyl (2R)-2-(6-bromo-2-pyridinyl)-2-hydroxyacetate is COC(=O)[C@H](O)c1cccc(Br)n1.
What is the InChIKey of methyl (2R)-2-(6-bromo-2-pyridinyl)-2-hydroxyacetate?
The InChIKey is WEVNLOPLYAJODB-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H8BrNO3/c1-13-8(12)7(11)5-3-2-4-6(9)10-5/h2-4,7,11H,1H3/t7-/m1/s1.
What are the key properties of methyl (2R)-2-(6-bromo-2-pyridinyl)-2-hydroxyacetate?
methyl (2R)-2-(6-bromo-2-pyridinyl)-2-hydroxyacetate has a molecular weight of 246.06 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(6-bromo-2-pyridinyl)-2-hydroxyacetate is sourced from PubChem (CID 129394725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).