4-(5-bromo-6-chloropyrazin-2-yl)oxypiperidine-1-carboxylic acid

C10H11BrClN3O3 — CID 87848540

IUPAC4-(5-bromo-6-chloropyrazin-2-yl)oxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2cnc(Br)c(Cl)n2)CC1
InChIInChI=1S/C10H11BrClN3O3/c11-8-9(12)14-7(5-13-8)18-6-1-3-15(4-2-6)10(16)17/h5-6H,1-4H2,(H,16,17)
InChIKeyGPODMFDYWYBFOH-UHFFFAOYSA-N
MW336.57 g/mol
LogP2.41
Rot. Bonds2

About 4-(5-bromo-6-chloropyrazin-2-yl)oxypiperidine-1-carboxylic acid

4-(5-bromo-6-chloropyrazin-2-yl)oxypiperidine-1-carboxylic acid (PubChem CID 87848540) has the molecular formula C10H11BrClN3O3 and a molecular weight of 336.57 g/mol. Its IUPAC name is 4-(5-bromo-6-chloropyrazin-2-yl)oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-bromo-6-chloropyrazin-2-yl)oxypiperidine-1-carboxylic acid
PubChem CID87848540
Molecular FormulaC10H11BrClN3O3
Molecular Weight336.57 g/mol
Exact Mass334.97
IUPAC Name4-(5-bromo-6-chloropyrazin-2-yl)oxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2cnc(Br)c(Cl)n2)CC1
InChIInChI=1S/C10H11BrClN3O3/c11-8-9(12)14-7(5-13-8)18-6-1-3-15(4-2-6)10(16)17/h5-6H,1-4H2,(H,16,17)
InChIKeyGPODMFDYWYBFOH-UHFFFAOYSA-N
XLogP2.41
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-chloro-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 87802411
4-(3-amino-6-bromopyrazin-2-yl)oxypiperidine-1-carboxylic acid
CID 87370877
4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 126505601
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 87945005
4-(6-bromo-3-pyrrol-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylic acid
CID 87818802
4-[(6-phenylmethoxy-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 68924039
4-[[5-(1-aminoethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 135155112
4-[(3-tert-butyl-2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 172731274
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
4-(4-chloro-3-hydroxyphenoxy)piperidine-1-carboxylic acid
CID 135387758
4-[6-[(5-chloro-3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 141132530
4-(4-chloroquinolin-6-yl)oxypiperidine-1-carboxylic acid
CID 121318195

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-6-chloropyrazin-2-yl)oxypiperidine-1-carboxylic acid?
The IUPAC name of 4-(5-bromo-6-chloropyrazin-2-yl)oxypiperidine-1-carboxylic acid (CID 87848540) is 4-(5-bromo-6-chloropyrazin-2-yl)oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(5-bromo-6-chloropyrazin-2-yl)oxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-(5-bromo-6-chloropyrazin-2-yl)oxypiperidine-1-carboxylic acid is O=C(O)N1CCC(Oc2cnc(Br)c(Cl)n2)CC1.
What is the InChIKey of 4-(5-bromo-6-chloropyrazin-2-yl)oxypiperidine-1-carboxylic acid?
The InChIKey is GPODMFDYWYBFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN3O3/c11-8-9(12)14-7(5-13-8)18-6-1-3-15(4-2-6)10(16)17/h5-6H,1-4H2,(H,16,17).
What are the key properties of 4-(5-bromo-6-chloropyrazin-2-yl)oxypiperidine-1-carboxylic acid?
4-(5-bromo-6-chloropyrazin-2-yl)oxypiperidine-1-carboxylic acid has a molecular weight of 336.57 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-6-chloropyrazin-2-yl)oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 87848540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).