5-bromo-6-cyclopentylpyrazine-2-carboxylic acid

C10H11BrN2O2 — CID 83851658

IUPAC5-bromo-6-cyclopentylpyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(Br)c(C2CCCC2)n1
InChIInChI=1S/C10H11BrN2O2/c11-9-8(6-3-1-2-4-6)13-7(5-12-9)10(14)15/h5-6H,1-4H2,(H,14,15)
InChIKeyJBMUDANGWKAYQJ-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.59
Rot. Bonds2

About 5-bromo-6-cyclopentylpyrazine-2-carboxylic acid

5-bromo-6-cyclopentylpyrazine-2-carboxylic acid (PubChem CID 83851658) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 5-bromo-6-cyclopentylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-6-cyclopentylpyrazine-2-carboxylic acid
PubChem CID83851658
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name5-bromo-6-cyclopentylpyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(Br)c(C2CCCC2)n1
InChIInChI=1S/C10H11BrN2O2/c11-9-8(6-3-1-2-4-6)13-7(5-12-9)10(14)15/h5-6H,1-4H2,(H,14,15)
InChIKeyJBMUDANGWKAYQJ-UHFFFAOYSA-N
XLogP2.59
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopentylpyrazine-2-carboxylic acid
CID 135241231
5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid
CID 86682331
6-cyclopropyl-5-methylpyridine-2-carboxylic acid
CID 118990646
1-(5-bromo-2-pyridinyl)-3-cyclohexylpyrazole-4-carboxylic acid
CID 65348133
6-(cycloheptylamino)pyrazine-2-carboxylic acid
CID 66458367
2-(4-bromo-2-cyclobutylpyrimidin-5-yl)acetic acid
CID 83852903
5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
CID 120684742
2-cyclobutylpyrimidine-4-carboxylic acid
CID 64985955
2-cyclopentylpyridine-3-carboxylic acid
CID 83915500
5-(4-cyclohexylphenyl)pyridine-2-carboxylic acid
CID 63424090
6-cyclopropyl-5-(hydroxymethyl)pyridine-2-carboxylic acid
CID 139349447
6-cyclohexyl-2-methylpyrimidine-4-carboxylic acid
CID 83822396

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopentylpyrazine-2-carboxylic acid?
The IUPAC name of 5-bromo-6-cyclopentylpyrazine-2-carboxylic acid (CID 83851658) is 5-bromo-6-cyclopentylpyrazine-2-carboxylic acid.
What is the SMILES notation for 5-bromo-6-cyclopentylpyrazine-2-carboxylic acid?
The canonical SMILES for 5-bromo-6-cyclopentylpyrazine-2-carboxylic acid is O=C(O)c1cnc(Br)c(C2CCCC2)n1.
What is the InChIKey of 5-bromo-6-cyclopentylpyrazine-2-carboxylic acid?
The InChIKey is JBMUDANGWKAYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-9-8(6-3-1-2-4-6)13-7(5-12-9)10(14)15/h5-6H,1-4H2,(H,14,15).
What are the key properties of 5-bromo-6-cyclopentylpyrazine-2-carboxylic acid?
5-bromo-6-cyclopentylpyrazine-2-carboxylic acid has a molecular weight of 271.11 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopentylpyrazine-2-carboxylic acid is sourced from PubChem (CID 83851658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).