tert-butyl 3-chloropyrrolo[2,3-b]pyrazine-5-carboxylate

C11H12ClN3O2 — CID 164886175

IUPACtert-butyl 3-chloropyrrolo[2,3-b]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc2ncc(Cl)nc21
InChIInChI=1S/C11H12ClN3O2/c1-11(2,3)17-10(16)15-5-4-7-9(15)14-8(12)6-13-7/h4-6H,1-3H3
InChIKeyOXDPQMRIBLHYSS-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.87
Rot. Bonds

About tert-butyl 3-chloropyrrolo[2,3-b]pyrazine-5-carboxylate

tert-butyl 3-chloropyrrolo[2,3-b]pyrazine-5-carboxylate (PubChem CID 164886175) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is tert-butyl 3-chloropyrrolo[2,3-b]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-chloropyrrolo[2,3-b]pyrazine-5-carboxylate
PubChem CID164886175
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Nametert-butyl 3-chloropyrrolo[2,3-b]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc2ncc(Cl)nc21
InChIInChI=1S/C11H12ClN3O2/c1-11(2,3)17-10(16)15-5-4-7-9(15)14-8(12)6-13-7/h4-6H,1-3H3
InChIKeyOXDPQMRIBLHYSS-UHFFFAOYSA-N
XLogP2.87
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-cyclopropylpyrrolo[2,3-b]pyrazine-5-carboxylate
CID 170775187
tert-butyl 5-chloropyrrolo[3,2-b]pyridine-1-carboxylate
CID 86689827
tert-butyl 2,4-dichloropyrrolo[3,2-d]pyrimidine-5-carboxylate
CID 71304622
tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate
CID 91663887
tert-butyl 2-chloropurine-9-carboxylate
CID 150359952
tert-butyl 4-chloro-5-fluoropyrrolo[2,3-b]pyridine-1-carboxylate
CID 146296445
tert-butyl 5-aminopyrrolo[2,3-b]pyridine-1-carboxylate
CID 152563693
tert-butyl 7-chloropyrrolo[2,3-c]pyridine-1-carboxylate
CID 155294375
tert-butyl 3-bromo-6-chloropyrrolo[2,3-b]pyridine-1-carboxylate
CID 163250780
tert-butyl 6-chloroimidazo[4,5-c]pyridine-1-carboxylate
CID 170576793
tert-butyl 4-bromopyrrolo[2,3-b]pyridine-1-carboxylate
CID 58298320
tert-butyl 6-cyanopyrrolo[2,3-b]pyridine-1-carboxylate
CID 71743190

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-chloropyrrolo[2,3-b]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl 3-chloropyrrolo[2,3-b]pyrazine-5-carboxylate (CID 164886175) is tert-butyl 3-chloropyrrolo[2,3-b]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl 3-chloropyrrolo[2,3-b]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl 3-chloropyrrolo[2,3-b]pyrazine-5-carboxylate is CC(C)(C)OC(=O)n1ccc2ncc(Cl)nc21.
What is the InChIKey of tert-butyl 3-chloropyrrolo[2,3-b]pyrazine-5-carboxylate?
The InChIKey is OXDPQMRIBLHYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-11(2,3)17-10(16)15-5-4-7-9(15)14-8(12)6-13-7/h4-6H,1-3H3.
What are the key properties of tert-butyl 3-chloropyrrolo[2,3-b]pyrazine-5-carboxylate?
tert-butyl 3-chloropyrrolo[2,3-b]pyrazine-5-carboxylate has a molecular weight of 253.69 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-chloropyrrolo[2,3-b]pyrazine-5-carboxylate is sourced from PubChem (CID 164886175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).