6-bromopyrrolo[1,2-a]pyrazine-3-carboxylic acid

C8H5BrN2O2 — CID 22565748

IUPAC6-bromopyrrolo[1,2-a]pyrazine-3-carboxylic acid
SMILESO=C(O)c1cn2c(Br)ccc2cn1
InChIInChI=1S/C8H5BrN2O2/c9-7-2-1-5-3-10-6(8(12)13)4-11(5)7/h1-4H,(H,12,13)
InChIKeyCNULAWGZSOSLHA-UHFFFAOYSA-N
MW241.04 g/mol
LogP1.79
Rot. Bonds1

About 6-bromopyrrolo[1,2-a]pyrazine-3-carboxylic acid

6-bromopyrrolo[1,2-a]pyrazine-3-carboxylic acid (PubChem CID 22565748) has the molecular formula C8H5BrN2O2 and a molecular weight of 241.04 g/mol. Its IUPAC name is 6-bromopyrrolo[1,2-a]pyrazine-3-carboxylic acid.

Molecular Properties

Compound Name6-bromopyrrolo[1,2-a]pyrazine-3-carboxylic acid
PubChem CID22565748
Molecular FormulaC8H5BrN2O2
Molecular Weight241.04 g/mol
Exact Mass239.95
IUPAC Name6-bromopyrrolo[1,2-a]pyrazine-3-carboxylic acid
SMILESO=C(O)c1cn2c(Br)ccc2cn1
InChIInChI=1S/C8H5BrN2O2/c9-7-2-1-5-3-10-6(8(12)13)4-11(5)7/h1-4H,(H,12,13)
InChIKeyCNULAWGZSOSLHA-UHFFFAOYSA-N
XLogP1.79
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.04
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxylic acid
CID 117272684
5-bromopyridine-2-carboxylic acid;hydrazine
CID 161359916
3-(6-bromoimidazo[1,5-a]pyridin-3-yl)benzoic acid
CID 117158432
4-methyl-5-oxopyrazine-2-carboxylic acid;hydrochloride
CID 126796383
3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 84737805
5-bromoisoquinoline-3-carboxylic acid
CID 75355525
pyridine-2,5-dicarboxylic acid
CID 158970171
(4-carboxyimidazol-1-yl)thallium
CID 147472653
1-(3-bromoimidazo[1,2-a]pyrazin-6-yl)-2-hydroxyethanone
CID 118441490
3-cyclobutylimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83835844
5-bromopyridazine-3-carboxylic acid
CID 118989582
5-hydroxypyridine-2-carboxylic acid;hydrate
CID 44607741

Frequently Asked Questions

What is the IUPAC name of 6-bromopyrrolo[1,2-a]pyrazine-3-carboxylic acid?
The IUPAC name of 6-bromopyrrolo[1,2-a]pyrazine-3-carboxylic acid (CID 22565748) is 6-bromopyrrolo[1,2-a]pyrazine-3-carboxylic acid.
What is the SMILES notation for 6-bromopyrrolo[1,2-a]pyrazine-3-carboxylic acid?
The canonical SMILES for 6-bromopyrrolo[1,2-a]pyrazine-3-carboxylic acid is O=C(O)c1cn2c(Br)ccc2cn1.
What is the InChIKey of 6-bromopyrrolo[1,2-a]pyrazine-3-carboxylic acid?
The InChIKey is CNULAWGZSOSLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O2/c9-7-2-1-5-3-10-6(8(12)13)4-11(5)7/h1-4H,(H,12,13).
What are the key properties of 6-bromopyrrolo[1,2-a]pyrazine-3-carboxylic acid?
6-bromopyrrolo[1,2-a]pyrazine-3-carboxylic acid has a molecular weight of 241.04 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromopyrrolo[1,2-a]pyrazine-3-carboxylic acid is sourced from PubChem (CID 22565748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).