2-(4-bromophenyl)-4-(6-chloropyrazin-2-yl)morpholine

C14H13BrClN3O — CID 47406272

IUPAC2-(4-bromophenyl)-4-(6-chloropyrazin-2-yl)morpholine
SMILESClc1cncc(N2CCOC(c3ccc(Br)cc3)C2)n1
InChIInChI=1S/C14H13BrClN3O/c15-11-3-1-10(2-4-11)12-9-19(5-6-20-12)14-8-17-7-13(16)18-14/h1-4,7-8,12H,5-6,9H2
InChIKeyZCQAJKIZVQMQAX-UHFFFAOYSA-N
MW354.64 g/mol
LogP3.47
Rot. Bonds2

About 2-(4-bromophenyl)-4-(6-chloropyrazin-2-yl)morpholine

2-(4-bromophenyl)-4-(6-chloropyrazin-2-yl)morpholine (PubChem CID 47406272) has the molecular formula C14H13BrClN3O and a molecular weight of 354.64 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(6-chloropyrazin-2-yl)morpholine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(6-chloropyrazin-2-yl)morpholine
PubChem CID47406272
Molecular FormulaC14H13BrClN3O
Molecular Weight354.64 g/mol
Exact Mass352.99
IUPAC Name2-(4-bromophenyl)-4-(6-chloropyrazin-2-yl)morpholine
SMILESClc1cncc(N2CCOC(c3ccc(Br)cc3)C2)n1
InChIInChI=1S/C14H13BrClN3O/c15-11-3-1-10(2-4-11)12-9-19(5-6-20-12)14-8-17-7-13(16)18-14/h1-4,7-8,12H,5-6,9H2
InChIKeyZCQAJKIZVQMQAX-UHFFFAOYSA-N
XLogP3.47
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.64
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
CID 95584085
2-(4-bromophenyl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 47983335
2-(4-bromophenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 133298883
2-(3-chloro-4-fluorophenyl)-4-(6-methylpyrazin-2-yl)morpholine
CID 133469954
4-(6-chloropyrazin-2-yl)-2-(4-fluorophenyl)-6-methylmorpholine
CID 133330542
2-(2-bromophenyl)-4-(6-methylpyrazin-2-yl)morpholine
CID 133469570
5-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid
CID 122057769
(2R)-2-(4-bromophenyl)-4-(7-fluoroisoquinolin-1-yl)morpholine
CID 97077681
[6-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56868455
(3R)-1-(6-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 86323671
4-[2-(4-bromophenyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 120673076
2-(4-bromophenyl)-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 133274491

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(6-chloropyrazin-2-yl)morpholine?
The IUPAC name of 2-(4-bromophenyl)-4-(6-chloropyrazin-2-yl)morpholine (CID 47406272) is 2-(4-bromophenyl)-4-(6-chloropyrazin-2-yl)morpholine.
What is the SMILES notation for 2-(4-bromophenyl)-4-(6-chloropyrazin-2-yl)morpholine?
The canonical SMILES for 2-(4-bromophenyl)-4-(6-chloropyrazin-2-yl)morpholine is Clc1cncc(N2CCOC(c3ccc(Br)cc3)C2)n1.
What is the InChIKey of 2-(4-bromophenyl)-4-(6-chloropyrazin-2-yl)morpholine?
The InChIKey is ZCQAJKIZVQMQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3O/c15-11-3-1-10(2-4-11)12-9-19(5-6-20-12)14-8-17-7-13(16)18-14/h1-4,7-8,12H,5-6,9H2.
What are the key properties of 2-(4-bromophenyl)-4-(6-chloropyrazin-2-yl)morpholine?
2-(4-bromophenyl)-4-(6-chloropyrazin-2-yl)morpholine has a molecular weight of 354.64 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(6-chloropyrazin-2-yl)morpholine is sourced from PubChem (CID 47406272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).