2-(3-chloro-4-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine

C16H15ClFN3O3 — CID 133343715

IUPAC2-(3-chloro-4-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine
SMILESCc1cc(N2CCOC(c3ccc(F)c(Cl)c3)C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C16H15ClFN3O3/c1-10-6-16(19-8-14(10)21(22)23)20-4-5-24-15(9-20)11-2-3-13(18)12(17)7-11/h2-3,6-8,15H,4-5,9H2,1H3
InChIKeyVORLKKONHCLSEX-UHFFFAOYSA-N
MW351.77 g/mol
LogP3.67
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine

2-(3-chloro-4-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine (PubChem CID 133343715) has the molecular formula C16H15ClFN3O3 and a molecular weight of 351.77 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine
PubChem CID133343715
Molecular FormulaC16H15ClFN3O3
Molecular Weight351.77 g/mol
Exact Mass351.08
IUPAC Name2-(3-chloro-4-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine
SMILESCc1cc(N2CCOC(c3ccc(F)c(Cl)c3)C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C16H15ClFN3O3/c1-10-6-16(19-8-14(10)21(22)23)20-4-5-24-15(9-20)11-2-3-13(18)12(17)7-11/h2-3,6-8,15H,4-5,9H2,1H3
InChIKeyVORLKKONHCLSEX-UHFFFAOYSA-N
XLogP3.67
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.77
LogP ≤ 53.67
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

(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine
CID 36726619
3-Chloro-5-nitro-2-[2-[(4s)-4-phenyl-4,5-dihydrooxazol-2-yl]-phenylamino]pyridine
CID 162625235
3-((2-Chloro-6-fluorobenzyl)oxy)-2-methyl-1-(3-nitro-2-pyridinyl)-4(1H)-pyridinone
CID 1490098
(2S)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine
CID 36726620
(2R)-2-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)morpholine
CID 36726716
(2S)-2-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)morpholine
CID 36726718
(2R)-2-(4-fluorophenyl)-4-(5-nitro-2-pyridinyl)morpholine
CID 36726798
(2S)-2-(4-fluorophenyl)-4-(5-nitro-2-pyridinyl)morpholine
CID 36726800
2-(4-Fluorophenyl)-4-(3-nitro-2-pyridinyl)morpholine
CID 42949541
2-(4-Fluorophenyl)-4-(5-nitro-2-pyridinyl)morpholine
CID 42949543
2-(3-chloro-4-fluorophenyl)-N-pyridin-3-ylmorpholine-4-carboxamide
CID 53576987
4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine
CID 55564884

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine (CID 133343715) is 2-(3-chloro-4-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine is Cc1cc(N2CCOC(c3ccc(F)c(Cl)c3)C2)ncc1[N+](=O)[O-].
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine?
The InChIKey is VORLKKONHCLSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O3/c1-10-6-16(19-8-14(10)21(22)23)20-4-5-24-15(9-20)11-2-3-13(18)12(17)7-11/h2-3,6-8,15H,4-5,9H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine?
2-(3-chloro-4-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine has a molecular weight of 351.77 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine is sourced from PubChem (CID 133343715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).