4-(3-nitro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine

C16H14F3N3O3 — CID 133449807

IUPAC4-(3-nitro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESO=[N+]([O-])c1cccnc1N1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C16H14F3N3O3/c17-16(18,19)12-5-3-11(4-6-12)14-10-21(8-9-25-14)15-13(22(23)24)2-1-7-20-15/h1-7,14H,8-10H2
InChIKeyDPEHUKXLYDVEMB-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.59
Rot. Bonds3

About 4-(3-nitro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine

4-(3-nitro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine (PubChem CID 133449807) has the molecular formula C16H14F3N3O3 and a molecular weight of 353.30 g/mol. Its IUPAC name is 4-(3-nitro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-(3-nitro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine
PubChem CID133449807
Molecular FormulaC16H14F3N3O3
Molecular Weight353.30 g/mol
Exact Mass353.10
IUPAC Name4-(3-nitro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESO=[N+]([O-])c1cccnc1N1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C16H14F3N3O3/c17-16(18,19)12-5-3-11(4-6-12)14-10-21(8-9-25-14)15-13(22(23)24)2-1-7-20-15/h1-7,14H,8-10H2
InChIKeyDPEHUKXLYDVEMB-UHFFFAOYSA-N
XLogP3.59
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.59
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-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2-phenylmorpholine
CID 97015229
4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449879
2-(4-bromophenyl)-4-(2-nitrophenyl)morpholine
CID 47983309
5-chloro-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carbonitrile
CID 133449777
2-methyl-4-(3-nitro-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperazine
CID 133431499
4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2-thiophen-2-ylmorpholine
CID 133363538
1-(3-nitro-2-pyridinyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 9339294
2-(3,3-difluoropyrrolidin-1-yl)-3-nitropyridine
CID 86811016
4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]quinoline-3-carbonitrile
CID 133449937
4-(6-tert-butylsulfonyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449768
(2S)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine
CID 36726620
3-(3-nitro-2-pyridinyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 22003999

Frequently Asked Questions

What is the IUPAC name of 4-(3-nitro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-(3-nitro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine (CID 133449807) is 4-(3-nitro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-(3-nitro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-(3-nitro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine is O=[N+]([O-])c1cccnc1N1CCOC(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 4-(3-nitro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The InChIKey is DPEHUKXLYDVEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3/c17-16(18,19)12-5-3-11(4-6-12)14-10-21(8-9-25-14)15-13(22(23)24)2-1-7-20-15/h1-7,14H,8-10H2.
What are the key properties of 4-(3-nitro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine?
4-(3-nitro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine has a molecular weight of 353.30 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-nitro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 133449807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).