tert-butyl 2-(3-chloropyrazin-2-yl)oxyacetate

C10H13ClN2O3 — CID 172559901

IUPACtert-butyl 2-(3-chloropyrazin-2-yl)oxyacetate
SMILESCC(C)(C)OC(=O)COc1nccnc1Cl
InChIInChI=1S/C10H13ClN2O3/c1-10(2,3)16-7(14)6-15-9-8(11)12-4-5-13-9/h4-5H,6H2,1-3H3
InChIKeyBLUFGIUURIXWKE-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.85
Rot. Bonds3

About tert-butyl 2-(3-chloropyrazin-2-yl)oxyacetate

tert-butyl 2-(3-chloropyrazin-2-yl)oxyacetate (PubChem CID 172559901) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is tert-butyl 2-(3-chloropyrazin-2-yl)oxyacetate.

Molecular Properties

Compound Nametert-butyl 2-(3-chloropyrazin-2-yl)oxyacetate
PubChem CID172559901
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Nametert-butyl 2-(3-chloropyrazin-2-yl)oxyacetate
SMILESCC(C)(C)OC(=O)COc1nccnc1Cl
InChIInChI=1S/C10H13ClN2O3/c1-10(2,3)16-7(14)6-15-9-8(11)12-4-5-13-9/h4-5H,6H2,1-3H3
InChIKeyBLUFGIUURIXWKE-UHFFFAOYSA-N
XLogP1.85
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]acetate
CID 118095879
tert-butyl 2-(4-chloro-3-formylphenoxy)acetate
CID 155234455
tert-butyl 2-(4-formylphenoxy)acetate
CID 639902
tert-butyl 2-(3-bromo-4-chlorophenoxy)acetate
CID 142585779
tert-butyl 2-[4-[1,1-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetate
CID 23023013
tert-butyl 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]acetate
CID 154666939
tert-butyl 2-(4-chloro-2-formylphenoxy)acetate
CID 51357407
tert-butyl 2-(2,4-dichloro-6-formylphenoxy)acetate
CID 18353685
tert-butyl 2-[(5-chloro-4-iodo-2-pyridinyl)oxy]acetate
CID 178159328
tert-butyl 2-[4-chloro-2-(hydroxymethyl)phenoxy]acetate
CID 86631069
tert-butyl 2-[2-(2-chlorophenyl)phenoxy]acetate
CID 70673218
tert-butyl 2-(3-chloro-2-iodophenoxy)acetate
CID 16741488

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-chloropyrazin-2-yl)oxyacetate?
The IUPAC name of tert-butyl 2-(3-chloropyrazin-2-yl)oxyacetate (CID 172559901) is tert-butyl 2-(3-chloropyrazin-2-yl)oxyacetate.
What is the SMILES notation for tert-butyl 2-(3-chloropyrazin-2-yl)oxyacetate?
The canonical SMILES for tert-butyl 2-(3-chloropyrazin-2-yl)oxyacetate is CC(C)(C)OC(=O)COc1nccnc1Cl.
What is the InChIKey of tert-butyl 2-(3-chloropyrazin-2-yl)oxyacetate?
The InChIKey is BLUFGIUURIXWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-10(2,3)16-7(14)6-15-9-8(11)12-4-5-13-9/h4-5H,6H2,1-3H3.
What are the key properties of tert-butyl 2-(3-chloropyrazin-2-yl)oxyacetate?
tert-butyl 2-(3-chloropyrazin-2-yl)oxyacetate has a molecular weight of 244.68 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-chloropyrazin-2-yl)oxyacetate is sourced from PubChem (CID 172559901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).