(6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone

C12H15BrN2O2 — CID 66464852

IUPAC(6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
SMILESCCC1COCCN1C(=O)c1ccc(Br)nc1
InChIInChI=1S/C12H15BrN2O2/c1-2-10-8-17-6-5-15(10)12(16)9-3-4-11(13)14-7-9/h3-4,7,10H,2,5-6,8H2,1H3
InChIKeyDEOKUJJUHWEVPP-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.10
Rot. Bonds2

About (6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone

(6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone (PubChem CID 66464852) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is (6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
PubChem CID66464852
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name(6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
SMILESCCC1COCCN1C(=O)c1ccc(Br)nc1
InChIInChI=1S/C12H15BrN2O2/c1-2-10-8-17-6-5-15(10)12(16)9-3-4-11(13)14-7-9/h3-4,7,10H,2,5-6,8H2,1H3
InChIKeyDEOKUJJUHWEVPP-UHFFFAOYSA-N
XLogP2.10
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.10
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-(6-bromopyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 66462467
(3-ethylmorpholin-4-yl)-(5-hydroxy-3-pyridinyl)methanone
CID 55257874
[4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 43611605
[(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70772603
(3-chloro-4-hydroxyphenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43613528
(3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone
CID 78966403
6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone
CID 160724807
(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104614640
[5-bromo-2-(ethylamino)-3-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
CID 62169252
2-(3-ethylmorpholine-4-carbonyl)-3,6-dimethylbenzoic acid
CID 103428878
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(6-bromo-3-pyridinyl)methanone
CID 66462936
(6-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
CID 43429048

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone?
The IUPAC name of (6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone (CID 66464852) is (6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for (6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone?
The canonical SMILES for (6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone is CCC1COCCN1C(=O)c1ccc(Br)nc1.
What is the InChIKey of (6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone?
The InChIKey is DEOKUJJUHWEVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-2-10-8-17-6-5-15(10)12(16)9-3-4-11(13)14-7-9/h3-4,7,10H,2,5-6,8H2,1H3.
What are the key properties of (6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone?
(6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone has a molecular weight of 299.17 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 66464852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).