[6-(1H-indol-2-yl)pyrazin-2-yl] benzoate

C19H13N3O2 — CID 174583893

IUPAC[6-(1H-indol-2-yl)pyrazin-2-yl] benzoate
SMILESO=C(Oc1cncc(-c2cc3ccccc3[nH]2)n1)c1ccccc1
InChIInChI=1S/C19H13N3O2/c23-19(13-6-2-1-3-7-13)24-18-12-20-11-17(22-18)16-10-14-8-4-5-9-15(14)21-16/h1-12,21H
InChIKeyQGNBZOLZCATSBU-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.84
Rot. Bonds3

About [6-(1H-indol-2-yl)pyrazin-2-yl] benzoate

[6-(1H-indol-2-yl)pyrazin-2-yl] benzoate (PubChem CID 174583893) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is [6-(1H-indol-2-yl)pyrazin-2-yl] benzoate.

Molecular Properties

Compound Name[6-(1H-indol-2-yl)pyrazin-2-yl] benzoate
PubChem CID174583893
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name[6-(1H-indol-2-yl)pyrazin-2-yl] benzoate
SMILESO=C(Oc1cncc(-c2cc3ccccc3[nH]2)n1)c1ccccc1
InChIInChI=1S/C19H13N3O2/c23-19(13-6-2-1-3-7-13)24-18-12-20-11-17(22-18)16-10-14-8-4-5-9-15(14)21-16/h1-12,21H
InChIKeyQGNBZOLZCATSBU-UHFFFAOYSA-N
XLogP3.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(1H-indol-2-yl)pyrazin-2-yl] benzoate?
The IUPAC name of [6-(1H-indol-2-yl)pyrazin-2-yl] benzoate (CID 174583893) is [6-(1H-indol-2-yl)pyrazin-2-yl] benzoate.
What is the SMILES notation for [6-(1H-indol-2-yl)pyrazin-2-yl] benzoate?
The canonical SMILES for [6-(1H-indol-2-yl)pyrazin-2-yl] benzoate is O=C(Oc1cncc(-c2cc3ccccc3[nH]2)n1)c1ccccc1.
What is the InChIKey of [6-(1H-indol-2-yl)pyrazin-2-yl] benzoate?
The InChIKey is QGNBZOLZCATSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-19(13-6-2-1-3-7-13)24-18-12-20-11-17(22-18)16-10-14-8-4-5-9-15(14)21-16/h1-12,21H.
What are the key properties of [6-(1H-indol-2-yl)pyrazin-2-yl] benzoate?
[6-(1H-indol-2-yl)pyrazin-2-yl] benzoate has a molecular weight of 315.33 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1H-indol-2-yl)pyrazin-2-yl] benzoate is sourced from PubChem (CID 174583893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).