2-[5-(1H-indol-2-yl)pyrazin-2-yl]acetic acid

C14H11N3O2 — CID 82382099

IUPAC2-[5-(1H-indol-2-yl)pyrazin-2-yl]acetic acid
SMILESO=C(O)Cc1cnc(-c2cc3ccccc3[nH]2)cn1
InChIInChI=1S/C14H11N3O2/c18-14(19)6-10-7-16-13(8-15-10)12-5-9-3-1-2-4-11(9)17-12/h1-5,7-8,17H,6H2,(H,18,19)
InChIKeySBGABWHGIZBPLV-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.25
Rot. Bonds3

About 2-[5-(1H-indol-2-yl)pyrazin-2-yl]acetic acid

2-[5-(1H-indol-2-yl)pyrazin-2-yl]acetic acid (PubChem CID 82382099) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[5-(1H-indol-2-yl)pyrazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(1H-indol-2-yl)pyrazin-2-yl]acetic acid
PubChem CID82382099
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-[5-(1H-indol-2-yl)pyrazin-2-yl]acetic acid
SMILESO=C(O)Cc1cnc(-c2cc3ccccc3[nH]2)cn1
InChIInChI=1S/C14H11N3O2/c18-14(19)6-10-7-16-13(8-15-10)12-5-9-3-1-2-4-11(9)17-12/h1-5,7-8,17H,6H2,(H,18,19)
InChIKeySBGABWHGIZBPLV-UHFFFAOYSA-N
XLogP2.25
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-2-pyridinyl)-1H-indole
CID 66770585
[5-(6-fluoro-1H-indol-2-yl)pyrazin-2-yl]methanamine
CID 82387029
ethanol;2-(1H-indol-2-yl)acetic acid
CID 157082351
2-(1H-indol-2-yl)pyridine-4-carbaldehyde
CID 175866369
5-(1H-indol-2-yl)pyridazine-4-carboxylic acid
CID 82388435
[6-(1H-indol-2-yl)pyrazin-2-yl] benzoate
CID 174583893
1-[2-(1H-indol-2-yl)phenyl]-3-sulfanylpropan-2-one
CID 58139269
2-(5-decyl-2-pyridinyl)-1H-indole
CID 150354876
[5-(4-methyl-1H-indol-2-yl)pyrazin-2-yl]methanamine
CID 82388674
2-(4-bromo-2-pyridinyl)-1H-indole
CID 152567330
2-[[2-[[2-(1H-indol-2-yl)-1H-indol-3-yl]oxy]acetyl]amino]acetic acid
CID 102064345
3-(1H-indol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 139653334

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-indol-2-yl)pyrazin-2-yl]acetic acid?
The IUPAC name of 2-[5-(1H-indol-2-yl)pyrazin-2-yl]acetic acid (CID 82382099) is 2-[5-(1H-indol-2-yl)pyrazin-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(1H-indol-2-yl)pyrazin-2-yl]acetic acid?
The canonical SMILES for 2-[5-(1H-indol-2-yl)pyrazin-2-yl]acetic acid is O=C(O)Cc1cnc(-c2cc3ccccc3[nH]2)cn1.
What is the InChIKey of 2-[5-(1H-indol-2-yl)pyrazin-2-yl]acetic acid?
The InChIKey is SBGABWHGIZBPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-14(19)6-10-7-16-13(8-15-10)12-5-9-3-1-2-4-11(9)17-12/h1-5,7-8,17H,6H2,(H,18,19).
What are the key properties of 2-[5-(1H-indol-2-yl)pyrazin-2-yl]acetic acid?
2-[5-(1H-indol-2-yl)pyrazin-2-yl]acetic acid has a molecular weight of 253.26 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1H-indol-2-yl)pyrazin-2-yl]acetic acid is sourced from PubChem (CID 82382099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).