6-(5-bromo-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-diol

C11H7BrN4O2 — CID 137251571

IUPAC6-(5-bromo-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-diol
SMILESOc1c2nccnc2c(O)n1-c1ccc(Br)cn1
InChIInChI=1S/C11H7BrN4O2/c12-6-1-2-7(15-5-6)16-10(17)8-9(11(16)18)14-4-3-13-8/h1-5,17-18H
InChIKeyKXDKRBRXPVHHPY-UHFFFAOYSA-N
MW307.11 g/mol
LogP1.99
Rot. Bonds1

About 6-(5-bromo-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-diol

6-(5-bromo-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-diol (PubChem CID 137251571) has the molecular formula C11H7BrN4O2 and a molecular weight of 307.11 g/mol. Its IUPAC name is 6-(5-bromo-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-diol.

Molecular Properties

Compound Name6-(5-bromo-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-diol
PubChem CID137251571
Molecular FormulaC11H7BrN4O2
Molecular Weight307.11 g/mol
Exact Mass305.98
IUPAC Name6-(5-bromo-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-diol
SMILESOc1c2nccnc2c(O)n1-c1ccc(Br)cn1
InChIInChI=1S/C11H7BrN4O2/c12-6-1-2-7(15-5-6)16-10(17)8-9(11(16)18)14-4-3-13-8/h1-5,17-18H
InChIKeyKXDKRBRXPVHHPY-UHFFFAOYSA-N
XLogP1.99
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.11
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine
CID 23438624
2-(5-bromo-2-pyridinyl)pyrazol-3-amine
CID 65347835
1-(5-bromo-2-pyridinyl)azocane
CID 55137358
5-bromo-2-piperidin-1-ylpyridine;hydrochloride
CID 53217409
[1-(5-bromo-2-pyridinyl)imidazol-4-yl]methanol
CID 68511931
5-bromo-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 84814969
3-(5-bromo-2-pyridinyl)-1,5-dimethylpyrimidine-2,4-dione
CID 130323805
5-bromopyridine-2-thiolate
CID 26338075
[2-(5-bromo-2-pyridinyl)pyrazol-3-yl] carbamate
CID 175326367
5-bromo-2-(1,5-dihydropyrazol-2-yl)pyridine
CID 70976833
1-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)azetidin-3-ol
CID 162745565
5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-diol?
The IUPAC name of 6-(5-bromo-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-diol (CID 137251571) is 6-(5-bromo-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-diol.
What is the SMILES notation for 6-(5-bromo-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-diol?
The canonical SMILES for 6-(5-bromo-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-diol is Oc1c2nccnc2c(O)n1-c1ccc(Br)cn1.
What is the InChIKey of 6-(5-bromo-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-diol?
The InChIKey is KXDKRBRXPVHHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN4O2/c12-6-1-2-7(15-5-6)16-10(17)8-9(11(16)18)14-4-3-13-8/h1-5,17-18H.
What are the key properties of 6-(5-bromo-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-diol?
6-(5-bromo-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-diol has a molecular weight of 307.11 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-diol is sourced from PubChem (CID 137251571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).