1-(3-amino-6-bromopyrazin-2-yl)piperidine-4-carboxylic acid

C10H13BrN4O2 — CID 71448569

IUPAC1-(3-amino-6-bromopyrazin-2-yl)piperidine-4-carboxylic acid
SMILESNc1ncc(Br)nc1N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H13BrN4O2/c11-7-5-13-8(12)9(14-7)15-3-1-6(2-4-15)10(16)17/h5-6H,1-4H2,(H2,12,13)(H,16,17)
InChIKeyXBPCCYAQAPXTHT-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.12
Rot. Bonds2

About 1-(3-amino-6-bromopyrazin-2-yl)piperidine-4-carboxylic acid

1-(3-amino-6-bromopyrazin-2-yl)piperidine-4-carboxylic acid (PubChem CID 71448569) has the molecular formula C10H13BrN4O2 and a molecular weight of 301.14 g/mol. Its IUPAC name is 1-(3-amino-6-bromopyrazin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-amino-6-bromopyrazin-2-yl)piperidine-4-carboxylic acid
PubChem CID71448569
Molecular FormulaC10H13BrN4O2
Molecular Weight301.14 g/mol
Exact Mass300.02
IUPAC Name1-(3-amino-6-bromopyrazin-2-yl)piperidine-4-carboxylic acid
SMILESNc1ncc(Br)nc1N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H13BrN4O2/c11-7-5-13-8(12)9(14-7)15-3-1-6(2-4-15)10(16)17/h5-6H,1-4H2,(H2,12,13)(H,16,17)
InChIKeyXBPCCYAQAPXTHT-UHFFFAOYSA-N
XLogP1.12
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-6-bromopyrazin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-amino-6-bromopyrazin-2-yl)piperidine-4-carboxylic acid (CID 71448569) is 1-(3-amino-6-bromopyrazin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-amino-6-bromopyrazin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-amino-6-bromopyrazin-2-yl)piperidine-4-carboxylic acid is Nc1ncc(Br)nc1N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(3-amino-6-bromopyrazin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is XBPCCYAQAPXTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O2/c11-7-5-13-8(12)9(14-7)15-3-1-6(2-4-15)10(16)17/h5-6H,1-4H2,(H2,12,13)(H,16,17).
What are the key properties of 1-(3-amino-6-bromopyrazin-2-yl)piperidine-4-carboxylic acid?
1-(3-amino-6-bromopyrazin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 301.14 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-6-bromopyrazin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 71448569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).