[2-(2,3-dichlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone

C17H15Cl2N3O4 — CID 155969974

IUPAC[2-(2,3-dichlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)N1CCOC(c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C17H15Cl2N3O4/c1-10-13(7-11(8-20-10)22(24)25)17(23)21-5-6-26-15(9-21)12-3-2-4-14(18)16(12)19/h2-4,7-8,15H,5-6,9H2,1H3
InChIKeyGNSZKZNGYWOIOY-UHFFFAOYSA-N
MW396.23 g/mol
LogP3.82
Rot. Bonds3

About [2-(2,3-dichlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone

[2-(2,3-dichlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone (PubChem CID 155969974) has the molecular formula C17H15Cl2N3O4 and a molecular weight of 396.23 g/mol. Its IUPAC name is [2-(2,3-dichlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(2,3-dichlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
PubChem CID155969974
Molecular FormulaC17H15Cl2N3O4
Molecular Weight396.23 g/mol
Exact Mass395.04
IUPAC Name[2-(2,3-dichlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)N1CCOC(c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C17H15Cl2N3O4/c1-10-13(7-11(8-20-10)22(24)25)17(23)21-5-6-26-15(9-21)12-3-2-4-14(18)16(12)19/h2-4,7-8,15H,5-6,9H2,1H3
InChIKeyGNSZKZNGYWOIOY-UHFFFAOYSA-N
XLogP3.82
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.23
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(2-chlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
CID 155946085
[2-(3-fluorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
CID 155945273
(2-methyl-5-nitro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 47127870
(2-chlorophenyl)-[2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 110326868
[(2R)-2-(2-fluorophenyl)morpholin-4-yl]-(2-methyl-3-nitrophenyl)methanone
CID 95174446
[3-(hydroxymethyl)piperidin-1-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
CID 110886862
(2-chloro-5-nitrophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203359
[2-(4-methylphenyl)morpholin-4-yl]-(3-nitrophenyl)methanone
CID 121134777
(2-methyl-5-nitro-3-pyridinyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994943
(6R)-6-methyl-4-(2-methyl-5-nitropyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 120535983
(6,7-dichloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-5-nitro-3-pyridinyl)methanone
CID 154859609
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-methyl-5-nitro-3-pyridinyl)methanone
CID 120816896

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone?
The IUPAC name of [2-(2,3-dichlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone (CID 155969974) is [2-(2,3-dichlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone.
What is the SMILES notation for [2-(2,3-dichlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone?
The canonical SMILES for [2-(2,3-dichlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone is Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOC(c2cccc(Cl)c2Cl)C1.
What is the InChIKey of [2-(2,3-dichlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone?
The InChIKey is GNSZKZNGYWOIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O4/c1-10-13(7-11(8-20-10)22(24)25)17(23)21-5-6-26-15(9-21)12-3-2-4-14(18)16(12)19/h2-4,7-8,15H,5-6,9H2,1H3.
What are the key properties of [2-(2,3-dichlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone?
[2-(2,3-dichlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone has a molecular weight of 396.23 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone is sourced from PubChem (CID 155969974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).