4-(5-bromo-3-chloro-2-pyridinyl)-5-ethyl-2-methylmorpholine

C12H16BrClN2O — CID 103583164

IUPAC4-(5-bromo-3-chloro-2-pyridinyl)-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1c1ncc(Br)cc1Cl
InChIInChI=1S/C12H16BrClN2O/c1-3-10-7-17-8(2)6-16(10)12-11(14)4-9(13)5-15-12/h4-5,8,10H,3,6-7H2,1-2H3
InChIKeyQYGZUFDVIAHRHP-UHFFFAOYSA-N
MW319.63 g/mol
LogP3.50
Rot. Bonds2

About 4-(5-bromo-3-chloro-2-pyridinyl)-5-ethyl-2-methylmorpholine

4-(5-bromo-3-chloro-2-pyridinyl)-5-ethyl-2-methylmorpholine (PubChem CID 103583164) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is 4-(5-bromo-3-chloro-2-pyridinyl)-5-ethyl-2-methylmorpholine.

Molecular Properties

Compound Name4-(5-bromo-3-chloro-2-pyridinyl)-5-ethyl-2-methylmorpholine
PubChem CID103583164
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC Name4-(5-bromo-3-chloro-2-pyridinyl)-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1c1ncc(Br)cc1Cl
InChIInChI=1S/C12H16BrClN2O/c1-3-10-7-17-8(2)6-16(10)12-11(14)4-9(13)5-15-12/h4-5,8,10H,3,6-7H2,1-2H3
InChIKeyQYGZUFDVIAHRHP-UHFFFAOYSA-N
XLogP3.50
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromo-2-chloropyrimidin-4-yl)-5-ethyl-2-methylmorpholine
CID 79075990
3,5-dichloro-6-(5-ethyl-2-methylmorpholin-4-yl)pyridin-2-amine
CID 102756606
5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine
CID 103583016
[5-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazine
CID 80896237
5-bromo-4-(5-ethyl-2-methylmorpholin-4-yl)-N-methylpyrimidin-2-amine
CID 80796103
4-(6-bromo-2-pyridinyl)-5-ethyl-2-methylmorpholine
CID 63963227
5-(5-ethyl-2-methylmorpholin-4-yl)pyridin-3-amine
CID 104533296
[4-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methanol
CID 61424491
4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine
CID 103584209
[6-(5-ethyl-2-methylmorpholin-4-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80896083
4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine
CID 61424002
[5-bromo-3-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-2-pyridinyl]hydrazine
CID 61424855

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-chloro-2-pyridinyl)-5-ethyl-2-methylmorpholine?
The IUPAC name of 4-(5-bromo-3-chloro-2-pyridinyl)-5-ethyl-2-methylmorpholine (CID 103583164) is 4-(5-bromo-3-chloro-2-pyridinyl)-5-ethyl-2-methylmorpholine.
What is the SMILES notation for 4-(5-bromo-3-chloro-2-pyridinyl)-5-ethyl-2-methylmorpholine?
The canonical SMILES for 4-(5-bromo-3-chloro-2-pyridinyl)-5-ethyl-2-methylmorpholine is CCC1COC(C)CN1c1ncc(Br)cc1Cl.
What is the InChIKey of 4-(5-bromo-3-chloro-2-pyridinyl)-5-ethyl-2-methylmorpholine?
The InChIKey is QYGZUFDVIAHRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O/c1-3-10-7-17-8(2)6-16(10)12-11(14)4-9(13)5-15-12/h4-5,8,10H,3,6-7H2,1-2H3.
What are the key properties of 4-(5-bromo-3-chloro-2-pyridinyl)-5-ethyl-2-methylmorpholine?
4-(5-bromo-3-chloro-2-pyridinyl)-5-ethyl-2-methylmorpholine has a molecular weight of 319.63 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-chloro-2-pyridinyl)-5-ethyl-2-methylmorpholine is sourced from PubChem (CID 103583164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).