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

C17H16FN3O4 — CID 155945273

IUPAC[2-(3-fluorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)N1CCOC(c2cccc(F)c2)C1
InChIInChI=1S/C17H16FN3O4/c1-11-15(8-14(9-19-11)21(23)24)17(22)20-5-6-25-16(10-20)12-3-2-4-13(18)7-12/h2-4,7-9,16H,5-6,10H2,1H3
InChIKeyDQJDZBFISXWMHF-UHFFFAOYSA-N
MW345.33 g/mol
LogP2.65
Rot. Bonds3

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

[2-(3-fluorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone (PubChem CID 155945273) has the molecular formula C17H16FN3O4 and a molecular weight of 345.33 g/mol. Its IUPAC name is [2-(3-fluorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
PubChem CID155945273
Molecular FormulaC17H16FN3O4
Molecular Weight345.33 g/mol
Exact Mass345.11
IUPAC Name[2-(3-fluorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)N1CCOC(c2cccc(F)c2)C1
InChIInChI=1S/C17H16FN3O4/c1-11-15(8-14(9-19-11)21(23)24)17(22)20-5-6-25-16(10-20)12-3-2-4-13(18)7-12/h2-4,7-9,16H,5-6,10H2,1H3
InChIKeyDQJDZBFISXWMHF-UHFFFAOYSA-N
XLogP2.65
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 52.65
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-(2,3-dichlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
CID 155969974
[2-(2-chlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
CID 155946085
(4-nitrophenyl) (2S)-2-(3-fluorophenyl)morpholine-4-carboxylate
CID 67354450
5-[(2R)-2-(3-fluorophenyl)morpholine-4-carbonyl]-2-methyl-1H-pyridin-4-one
CID 97067462
5-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-methyl-1H-pyridin-4-one
CID 71926655
(2-methyl-5-nitro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 47127870
2-(3-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine
CID 133343722
4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid
CID 119183981
[2-(4-fluorophenyl)morpholin-4-yl]-[2-(4-methylpiperidin-1-yl)-5-nitrophenyl]methanone
CID 55585139
(2R)-2-(3-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-carboxamide
CID 95178874
[2-(4-methylphenyl)morpholin-4-yl]-(3-nitrophenyl)methanone
CID 121134777
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120668206

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone?
The IUPAC name of [2-(3-fluorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone (CID 155945273) is [2-(3-fluorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone.
What is the SMILES notation for [2-(3-fluorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone?
The canonical SMILES for [2-(3-fluorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone is Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOC(c2cccc(F)c2)C1.
What is the InChIKey of [2-(3-fluorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone?
The InChIKey is DQJDZBFISXWMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4/c1-11-15(8-14(9-19-11)21(23)24)17(22)20-5-6-25-16(10-20)12-3-2-4-13(18)7-12/h2-4,7-9,16H,5-6,10H2,1H3.
What are the key properties of [2-(3-fluorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone?
[2-(3-fluorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone has a molecular weight of 345.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone is sourced from PubChem (CID 155945273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).