(2-bromo-4-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone

C13H17BrN2O2 — CID 103755584

IUPAC(2-bromo-4-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCC1COC(C)CN1C(=O)c1ccnc(Br)c1
InChIInChI=1S/C13H17BrN2O2/c1-3-11-8-18-9(2)7-16(11)13(17)10-4-5-15-12(14)6-10/h4-6,9,11H,3,7-8H2,1-2H3
InChIKeyIHYFMDVYGOXZKR-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.48
Rot. Bonds2

About (2-bromo-4-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone

(2-bromo-4-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone (PubChem CID 103755584) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is (2-bromo-4-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-bromo-4-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
PubChem CID103755584
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name(2-bromo-4-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCC1COC(C)CN1C(=O)c1ccnc(Br)c1
InChIInChI=1S/C13H17BrN2O2/c1-3-11-8-18-9(2)7-16(11)13(17)10-4-5-15-12(14)6-10/h4-6,9,11H,3,7-8H2,1-2H3
InChIKeyIHYFMDVYGOXZKR-UHFFFAOYSA-N
XLogP2.48
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(4-chloro-2-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60656502
[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
CID 95358527
3-(5-ethyl-2-methylmorpholine-4-carbonyl)benzoic acid
CID 61424863
(3,5-diaminophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 61093877
2,3-dihydro-1H-isoindol-5-yl-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 103998009
(3-amino-4-ethoxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 61094264
3-(5-ethyl-2-methylmorpholine-4-carbonyl)benzonitrile
CID 60645396
(5-ethyl-2-methylmorpholin-4-yl)-(1H-indol-6-yl)methanone
CID 61060054
(2-bromophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60628169
(2-chloro-3-pyridinyl)-[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]methanone
CID 93417513
(5-bromo-2-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 103600035
(2-bromo-4-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832524

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The IUPAC name of (2-bromo-4-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone (CID 103755584) is (2-bromo-4-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-bromo-4-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (2-bromo-4-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone is CCC1COC(C)CN1C(=O)c1ccnc(Br)c1.
What is the InChIKey of (2-bromo-4-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The InChIKey is IHYFMDVYGOXZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-3-11-8-18-9(2)7-16(11)13(17)10-4-5-15-12(14)6-10/h4-6,9,11H,3,7-8H2,1-2H3.
What are the key properties of (2-bromo-4-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
(2-bromo-4-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone has a molecular weight of 313.19 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 103755584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).