ethyl (2R)-2-bromo-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate

C10H8BrClF3NO2 — CID 124583640

IUPACethyl (2R)-2-bromo-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)[C@H](Br)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H8BrClF3NO2/c1-2-18-9(17)7(11)8-6(12)3-5(4-16-8)10(13,14)15/h3-4,7H,2H2,1H3/t7-/m1/s1
InChIKeyCNBKEGSMNBNDDX-SSDOTTSWSA-N
MW346.53 g/mol
LogP3.75
Rot. Bonds3

About ethyl (2R)-2-bromo-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate

ethyl (2R)-2-bromo-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate (PubChem CID 124583640) has the molecular formula C10H8BrClF3NO2 and a molecular weight of 346.53 g/mol. Its IUPAC name is ethyl (2R)-2-bromo-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl (2R)-2-bromo-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate
PubChem CID124583640
Molecular FormulaC10H8BrClF3NO2
Molecular Weight346.53 g/mol
Exact Mass344.94
IUPAC Nameethyl (2R)-2-bromo-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)[C@H](Br)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H8BrClF3NO2/c1-2-18-9(17)7(11)8-6(12)3-5(4-16-8)10(13,14)15/h3-4,7H,2H2,1H3/t7-/m1/s1
InChIKeyCNBKEGSMNBNDDX-SSDOTTSWSA-N
XLogP3.75
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.53
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol
CID 63201271
3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine
CID 138603693
3-chloro-2-nonan-5-yl-5-(trifluoromethyl)pyridine
CID 170266507
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butan-1-amine;hydrochloride
CID 66798194
3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine
CID 71058681
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyanoacetate
CID 152766144
ethyl 2-bromo-2-[3-(trifluoromethyl)phenyl]acetate
CID 12717579
N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropyl]acetamide
CID 170830717
ethyl 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 2765852
ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxylate
CID 1486610
ethyl N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetyl]carbamate
CID 9113385
(2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 1473781

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-bromo-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of ethyl (2R)-2-bromo-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate (CID 124583640) is ethyl (2R)-2-bromo-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for ethyl (2R)-2-bromo-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for ethyl (2R)-2-bromo-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate is CCOC(=O)[C@H](Br)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of ethyl (2R)-2-bromo-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate?
The InChIKey is CNBKEGSMNBNDDX-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H8BrClF3NO2/c1-2-18-9(17)7(11)8-6(12)3-5(4-16-8)10(13,14)15/h3-4,7H,2H2,1H3/t7-/m1/s1.
What are the key properties of ethyl (2R)-2-bromo-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate?
ethyl (2R)-2-bromo-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate has a molecular weight of 346.53 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-bromo-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 124583640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).