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

C17H16ClN3O4 — CID 155946085

IUPAC[2-(2-chlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)N1CCOC(c2ccccc2Cl)C1
InChIInChI=1S/C17H16ClN3O4/c1-11-14(8-12(9-19-11)21(23)24)17(22)20-6-7-25-16(10-20)13-4-2-3-5-15(13)18/h2-5,8-9,16H,6-7,10H2,1H3
InChIKeyGAYPSHVXYKVTCG-UHFFFAOYSA-N
MW361.79 g/mol
LogP3.17
Rot. Bonds3

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

[2-(2-chlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone (PubChem CID 155946085) has the molecular formula C17H16ClN3O4 and a molecular weight of 361.79 g/mol. Its IUPAC name is [2-(2-chlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
PubChem CID155946085
Molecular FormulaC17H16ClN3O4
Molecular Weight361.79 g/mol
Exact Mass361.08
IUPAC Name[2-(2-chlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)N1CCOC(c2ccccc2Cl)C1
InChIInChI=1S/C17H16ClN3O4/c1-11-14(8-12(9-19-11)21(23)24)17(22)20-6-7-25-16(10-20)13-4-2-3-5-15(13)18/h2-5,8-9,16H,6-7,10H2,1H3
InChIKeyGAYPSHVXYKVTCG-UHFFFAOYSA-N
XLogP3.17
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 53.17
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-(3-fluorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
CID 155945273
(2-chlorophenyl)-[2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 110326868
(2-methyl-5-nitro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 47127870
[(2S)-2-(2-chlorophenyl)morpholin-4-yl]-(4-chloro-2-pyridinyl)methanone
CID 95296582
[(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-(2-chlorophenyl)morpholin-4-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 110356617
(2-chloro-5-nitrophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203359
(2-methyl-5-nitro-3-pyridinyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994943
(2S)-2-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]morpholine-4-carboxamide
CID 95303634
1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one
CID 110326823

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone?
The IUPAC name of [2-(2-chlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone (CID 155946085) is [2-(2-chlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone is Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOC(c2ccccc2Cl)C1.
What is the InChIKey of [2-(2-chlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone?
The InChIKey is GAYPSHVXYKVTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4/c1-11-14(8-12(9-19-11)21(23)24)17(22)20-6-7-25-16(10-20)13-4-2-3-5-15(13)18/h2-5,8-9,16H,6-7,10H2,1H3.
What are the key properties of [2-(2-chlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone?
[2-(2-chlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone has a molecular weight of 361.79 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone is sourced from PubChem (CID 155946085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).