3,5-dibromo-2-piperidin-1-ylpyrazine

C9H11Br2N3 — CID 87370742

IUPAC3,5-dibromo-2-piperidin-1-ylpyrazine
SMILESBrc1cnc(N2CCCCC2)c(Br)n1
InChIInChI=1S/C9H11Br2N3/c10-7-6-12-9(8(11)13-7)14-4-2-1-3-5-14/h6H,1-5H2
InChIKeyHGIZYQXNOWPPKQ-UHFFFAOYSA-N
MW321.02 g/mol
LogP2.99
Rot. Bonds1

About 3,5-dibromo-2-piperidin-1-ylpyrazine

3,5-dibromo-2-piperidin-1-ylpyrazine (PubChem CID 87370742) has the molecular formula C9H11Br2N3 and a molecular weight of 321.02 g/mol. Its IUPAC name is 3,5-dibromo-2-piperidin-1-ylpyrazine.

Molecular Properties

Compound Name3,5-dibromo-2-piperidin-1-ylpyrazine
PubChem CID87370742
Molecular FormulaC9H11Br2N3
Molecular Weight321.02 g/mol
Exact Mass318.93
IUPAC Name3,5-dibromo-2-piperidin-1-ylpyrazine
SMILESBrc1cnc(N2CCCCC2)c(Br)n1
InChIInChI=1S/C9H11Br2N3/c10-7-6-12-9(8(11)13-7)14-4-2-1-3-5-14/h6H,1-5H2
InChIKeyHGIZYQXNOWPPKQ-UHFFFAOYSA-N
XLogP2.99
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.02
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-3-piperidin-1-ylpyrazine
CID 135293554
2-bromo-3-piperidin-1-ylpyrazine
CID 130118607
1-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)-4-methyl-1,4-diazepane
CID 87371172
6-bromo-3-piperidin-1-yl-N-piperidin-3-ylpyrazin-2-amine
CID 87371050
4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylic acid
CID 87370649
1-(5-bromo-3-fluoro-2-pyridinyl)azepane
CID 104918629
5-bromo-3-(1,4-diazepan-1-yl)pyrazin-2-amine
CID 16740450
6-bromo-3-fluoro-2-piperidin-1-ylpyridine
CID 817395
1-(3-amino-6-bromopyrazin-2-yl)piperidine-4-carboxylic acid
CID 71448569
tert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylate
CID 91527425
5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine
CID 167713490
tert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 90774753

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-piperidin-1-ylpyrazine?
The IUPAC name of 3,5-dibromo-2-piperidin-1-ylpyrazine (CID 87370742) is 3,5-dibromo-2-piperidin-1-ylpyrazine.
What is the SMILES notation for 3,5-dibromo-2-piperidin-1-ylpyrazine?
The canonical SMILES for 3,5-dibromo-2-piperidin-1-ylpyrazine is Brc1cnc(N2CCCCC2)c(Br)n1.
What is the InChIKey of 3,5-dibromo-2-piperidin-1-ylpyrazine?
The InChIKey is HGIZYQXNOWPPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2N3/c10-7-6-12-9(8(11)13-7)14-4-2-1-3-5-14/h6H,1-5H2.
What are the key properties of 3,5-dibromo-2-piperidin-1-ylpyrazine?
3,5-dibromo-2-piperidin-1-ylpyrazine has a molecular weight of 321.02 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-piperidin-1-ylpyrazine is sourced from PubChem (CID 87370742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).