7-bromofuro[2,3-b]pyrazine-2-carboxylic acid

C7H3BrN2O3 — CID 118656901

IUPAC7-bromofuro[2,3-b]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc2occ(Br)c2n1
InChIInChI=1S/C7H3BrN2O3/c8-3-2-13-6-5(3)10-4(1-9-6)7(11)12/h1-2H,(H,11,12)
InChIKeyQMHOMJGTSUINFK-UHFFFAOYSA-N
MW243.02 g/mol
LogP1.68
Rot. Bonds1

About 7-bromofuro[2,3-b]pyrazine-2-carboxylic acid

7-bromofuro[2,3-b]pyrazine-2-carboxylic acid (PubChem CID 118656901) has the molecular formula C7H3BrN2O3 and a molecular weight of 243.02 g/mol. Its IUPAC name is 7-bromofuro[2,3-b]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name7-bromofuro[2,3-b]pyrazine-2-carboxylic acid
PubChem CID118656901
Molecular FormulaC7H3BrN2O3
Molecular Weight243.02 g/mol
Exact Mass241.93
IUPAC Name7-bromofuro[2,3-b]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc2occ(Br)c2n1
InChIInChI=1S/C7H3BrN2O3/c8-3-2-13-6-5(3)10-4(1-9-6)7(11)12/h1-2H,(H,11,12)
InChIKeyQMHOMJGTSUINFK-UHFFFAOYSA-N
XLogP1.68
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.02
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromofuro[2,3-b]pyrazine-2-carboxylic acid?
The IUPAC name of 7-bromofuro[2,3-b]pyrazine-2-carboxylic acid (CID 118656901) is 7-bromofuro[2,3-b]pyrazine-2-carboxylic acid.
What is the SMILES notation for 7-bromofuro[2,3-b]pyrazine-2-carboxylic acid?
The canonical SMILES for 7-bromofuro[2,3-b]pyrazine-2-carboxylic acid is O=C(O)c1cnc2occ(Br)c2n1.
What is the InChIKey of 7-bromofuro[2,3-b]pyrazine-2-carboxylic acid?
The InChIKey is QMHOMJGTSUINFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrN2O3/c8-3-2-13-6-5(3)10-4(1-9-6)7(11)12/h1-2H,(H,11,12).
What are the key properties of 7-bromofuro[2,3-b]pyrazine-2-carboxylic acid?
7-bromofuro[2,3-b]pyrazine-2-carboxylic acid has a molecular weight of 243.02 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromofuro[2,3-b]pyrazine-2-carboxylic acid is sourced from PubChem (CID 118656901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).