4-(3-chloro-5-nitro-2-pyridinyl)-2-(4-fluorophenyl)-6-methylmorpholine

C16H15ClFN3O3 — CID 133330434

IUPAC4-(3-chloro-5-nitro-2-pyridinyl)-2-(4-fluorophenyl)-6-methylmorpholine
SMILESCC1CN(c2ncc([N+](=O)[O-])cc2Cl)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C16H15ClFN3O3/c1-10-8-20(16-14(17)6-13(7-19-16)21(22)23)9-15(24-10)11-2-4-12(18)5-3-11/h2-7,10,15H,8-9H2,1H3
InChIKeyFOYDSCYWDUSAER-UHFFFAOYSA-N
MW351.77 g/mol
LogP3.75
Rot. Bonds3

About 4-(3-chloro-5-nitro-2-pyridinyl)-2-(4-fluorophenyl)-6-methylmorpholine

4-(3-chloro-5-nitro-2-pyridinyl)-2-(4-fluorophenyl)-6-methylmorpholine (PubChem CID 133330434) has the molecular formula C16H15ClFN3O3 and a molecular weight of 351.77 g/mol. Its IUPAC name is 4-(3-chloro-5-nitro-2-pyridinyl)-2-(4-fluorophenyl)-6-methylmorpholine.

Molecular Properties

Compound Name4-(3-chloro-5-nitro-2-pyridinyl)-2-(4-fluorophenyl)-6-methylmorpholine
PubChem CID133330434
Molecular FormulaC16H15ClFN3O3
Molecular Weight351.77 g/mol
Exact Mass351.08
IUPAC Name4-(3-chloro-5-nitro-2-pyridinyl)-2-(4-fluorophenyl)-6-methylmorpholine
SMILESCC1CN(c2ncc([N+](=O)[O-])cc2Cl)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C16H15ClFN3O3/c1-10-8-20(16-14(17)6-13(7-19-16)21(22)23)9-15(24-10)11-2-4-12(18)5-3-11/h2-7,10,15H,8-9H2,1H3
InChIKeyFOYDSCYWDUSAER-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
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

5-chloro-N-(2-fluoro-4-morpholin-2-ylphenyl)pyridin-2-amine
CID 68325682
(6S)-6-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]phenyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 49851823
(6R)-6-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 137636168
5-chloro-3-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridin-2-amine
CID 68325678
3-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 68325829
2-(5-chloro-2-pyridinyl)-7-[(4-fluorophenyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 21706403
(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine
CID 36726619
(7S,8aS)-7-(4-Fluorobenzyl)oxy-2-(5-chloropyridin-2-yl)-1,2,3,4,6,7,8,8a-octahydro-pyrrolo[1,2-a]pyrazine
CID 15886060
5-chloro-3-fluoro-N-(4-morpholin-2-ylphenyl)pyridin-2-amine
CID 68325683
3-chloro-N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine
CID 68325832
5-Chloro-3-[(3-fluoro-2-pyridinyl)methoxymethyl]-2-nitropyridine
CID 123606791
3-Chloro-2-[4-(3-fluorophenoxy)piperidin-1-yl]-5-nitropyridine
CID 124106933

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-nitro-2-pyridinyl)-2-(4-fluorophenyl)-6-methylmorpholine?
The IUPAC name of 4-(3-chloro-5-nitro-2-pyridinyl)-2-(4-fluorophenyl)-6-methylmorpholine (CID 133330434) is 4-(3-chloro-5-nitro-2-pyridinyl)-2-(4-fluorophenyl)-6-methylmorpholine.
What is the SMILES notation for 4-(3-chloro-5-nitro-2-pyridinyl)-2-(4-fluorophenyl)-6-methylmorpholine?
The canonical SMILES for 4-(3-chloro-5-nitro-2-pyridinyl)-2-(4-fluorophenyl)-6-methylmorpholine is CC1CN(c2ncc([N+](=O)[O-])cc2Cl)CC(c2ccc(F)cc2)O1.
What is the InChIKey of 4-(3-chloro-5-nitro-2-pyridinyl)-2-(4-fluorophenyl)-6-methylmorpholine?
The InChIKey is FOYDSCYWDUSAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O3/c1-10-8-20(16-14(17)6-13(7-19-16)21(22)23)9-15(24-10)11-2-4-12(18)5-3-11/h2-7,10,15H,8-9H2,1H3.
What are the key properties of 4-(3-chloro-5-nitro-2-pyridinyl)-2-(4-fluorophenyl)-6-methylmorpholine?
4-(3-chloro-5-nitro-2-pyridinyl)-2-(4-fluorophenyl)-6-methylmorpholine has a molecular weight of 351.77 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-nitro-2-pyridinyl)-2-(4-fluorophenyl)-6-methylmorpholine is sourced from PubChem (CID 133330434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).