(6-bromo-2-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone

C18H19BrN2O4 — CID 92759778

IUPAC(6-bromo-2-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone
SMILESCOc1ccccc1OC[C@@H]1CN(C(=O)c2cccc(Br)n2)CCO1
InChIInChI=1S/C18H19BrN2O4/c1-23-15-6-2-3-7-16(15)25-12-13-11-21(9-10-24-13)18(22)14-5-4-8-17(19)20-14/h2-8,13H,9-12H2,1H3/t13-/m0/s1
InChIKeyYULBOSJMPFSKOX-ZDUSSCGKSA-N
MW407.26 g/mol
LogP2.77
Rot. Bonds5

About (6-bromo-2-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone

(6-bromo-2-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone (PubChem CID 92759778) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is (6-bromo-2-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(6-bromo-2-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone
PubChem CID92759778
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC Name(6-bromo-2-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone
SMILESCOc1ccccc1OC[C@@H]1CN(C(=O)c2cccc(Br)n2)CCO1
InChIInChI=1S/C18H19BrN2O4/c1-23-15-6-2-3-7-16(15)25-12-13-11-21(9-10-24-13)18(22)14-5-4-8-17(19)20-14/h2-8,13H,9-12H2,1H3/t13-/m0/s1
InChIKeyYULBOSJMPFSKOX-ZDUSSCGKSA-N
XLogP2.77
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (6-bromo-2-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone with MolForge

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Related Compounds

(6-bromo-2-pyridinyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone
CID 46100358
4-[[4-(6-bromopyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
CID 3397743
methyl 3-[4-[[4-(6-bromopyridine-2-carbonyl)morpholin-2-yl]methoxy]phenyl]-3-oxopropanoate
CID 3846581
[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(6-bromo-2-pyridinyl)methanone
CID 3740897
(6-bromo-2-pyridinyl)-[2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
CID 46100342
(2-chloro-3-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 92758229
1-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
CID 46100107
2-[(2R)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]acetamide
CID 99979589
[(2R)-2-[(2-methoxy-4-methylphenoxy)methyl]morpholin-4-yl]-(2-methylphenyl)methanone
CID 93336839
CID 174024033
CID 174024033
methyl 2-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]acetate
CID 102567692
tert-butyl 2-[(2-bromophenoxy)methyl]morpholine-4-carboxylate
CID 102567725

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone?
The IUPAC name of (6-bromo-2-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone (CID 92759778) is (6-bromo-2-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (6-bromo-2-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone?
The canonical SMILES for (6-bromo-2-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone is COc1ccccc1OC[C@@H]1CN(C(=O)c2cccc(Br)n2)CCO1.
What is the InChIKey of (6-bromo-2-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone?
The InChIKey is YULBOSJMPFSKOX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-23-15-6-2-3-7-16(15)25-12-13-11-21(9-10-24-13)18(22)14-5-4-8-17(19)20-14/h2-8,13H,9-12H2,1H3/t13-/m0/s1.
What are the key properties of (6-bromo-2-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone?
(6-bromo-2-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone has a molecular weight of 407.26 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 92759778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).