2-(4-chlorobut-1-ynyl)-5H-pyrrolo[2,3-b]pyrazine

C10H8ClN3 — CID 170467919

IUPAC2-(4-chlorobut-1-ynyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESClCCC#Cc1cnc2[nH]ccc2n1
InChIInChI=1S/C10H8ClN3/c11-5-2-1-3-8-7-13-10-9(14-8)4-6-12-10/h4,6-7H,2,5H2,(H,12,13)
InChIKeyGWXHDUNEQRRLFS-UHFFFAOYSA-N
MW205.65 g/mol
LogP1.94
Rot. Bonds1

About 2-(4-chlorobut-1-ynyl)-5H-pyrrolo[2,3-b]pyrazine

2-(4-chlorobut-1-ynyl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 170467919) has the molecular formula C10H8ClN3 and a molecular weight of 205.65 g/mol. Its IUPAC name is 2-(4-chlorobut-1-ynyl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-(4-chlorobut-1-ynyl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID170467919
Molecular FormulaC10H8ClN3
Molecular Weight205.65 g/mol
Exact Mass205.04
IUPAC Name2-(4-chlorobut-1-ynyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESClCCC#Cc1cnc2[nH]ccc2n1
InChIInChI=1S/C10H8ClN3/c11-5-2-1-3-8-7-13-10-9(14-8)4-6-12-10/h4,6-7H,2,5H2,(H,12,13)
InChIKeyGWXHDUNEQRRLFS-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobut-1-ynyl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-(4-chlorobut-1-ynyl)-5H-pyrrolo[2,3-b]pyrazine (CID 170467919) is 2-(4-chlorobut-1-ynyl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-(4-chlorobut-1-ynyl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-(4-chlorobut-1-ynyl)-5H-pyrrolo[2,3-b]pyrazine is ClCCC#Cc1cnc2[nH]ccc2n1.
What is the InChIKey of 2-(4-chlorobut-1-ynyl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is GWXHDUNEQRRLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3/c11-5-2-1-3-8-7-13-10-9(14-8)4-6-12-10/h4,6-7H,2,5H2,(H,12,13).
What are the key properties of 2-(4-chlorobut-1-ynyl)-5H-pyrrolo[2,3-b]pyrazine?
2-(4-chlorobut-1-ynyl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 205.65 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobut-1-ynyl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 170467919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).