4-[5-(5-fluoropyrimidin-2-yl)-2-nitrophenyl]morpholine

C14H13FN4O3 — CID 151690779

IUPAC4-[5-(5-fluoropyrimidin-2-yl)-2-nitrophenyl]morpholine
SMILESO=[N+]([O-])c1ccc(-c2ncc(F)cn2)cc1N1CCOCC1
InChIInChI=1S/C14H13FN4O3/c15-11-8-16-14(17-9-11)10-1-2-12(19(20)21)13(7-10)18-3-5-22-6-4-18/h1-2,7-9H,3-6H2
InChIKeyRCMYDXFXBOSTEC-UHFFFAOYSA-N
MW304.28 g/mol
LogP2.03
Rot. Bonds3

About 4-[5-(5-fluoropyrimidin-2-yl)-2-nitrophenyl]morpholine

4-[5-(5-fluoropyrimidin-2-yl)-2-nitrophenyl]morpholine (PubChem CID 151690779) has the molecular formula C14H13FN4O3 and a molecular weight of 304.28 g/mol. Its IUPAC name is 4-[5-(5-fluoropyrimidin-2-yl)-2-nitrophenyl]morpholine.

Molecular Properties

Compound Name4-[5-(5-fluoropyrimidin-2-yl)-2-nitrophenyl]morpholine
PubChem CID151690779
Molecular FormulaC14H13FN4O3
Molecular Weight304.28 g/mol
Exact Mass304.10
IUPAC Name4-[5-(5-fluoropyrimidin-2-yl)-2-nitrophenyl]morpholine
SMILESO=[N+]([O-])c1ccc(-c2ncc(F)cn2)cc1N1CCOCC1
InChIInChI=1S/C14H13FN4O3/c15-11-8-16-14(17-9-11)10-1-2-12(19(20)21)13(7-10)18-3-5-22-6-4-18/h1-2,7-9H,3-6H2
InChIKeyRCMYDXFXBOSTEC-UHFFFAOYSA-N
XLogP2.03
TPSA81.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
CID 2829644
4-(5-bromo-2-nitrophenyl)morpholine
CID 71651965
4-(2,3-difluoro-4-nitrophenyl)morpholine
CID 58072318
4-(2-nitro-5-propan-2-ylphenyl)morpholine
CID 155136667
4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)morpholine
CID 2872322
4-(2-nitro-5-piperazin-1-ylphenyl)morpholine;hydrochloride
CID 17354179
4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]morpholine
CID 2866183
4-(5-bromo-2-fluoro-4-nitrophenyl)morpholine
CID 2871883
2-fluoro-5-morpholin-4-yl-4-nitrobenzoic acid
CID 104699515
4-morpholin-4-yl-7-nitroquinolin-8-ol
CID 166150251
4-(3-fluoro-2-nitrophenyl)morpholine
CID 53255500
4-morpholin-4-yl-5-nitrophthalic acid
CID 4615082

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-fluoropyrimidin-2-yl)-2-nitrophenyl]morpholine?
The IUPAC name of 4-[5-(5-fluoropyrimidin-2-yl)-2-nitrophenyl]morpholine (CID 151690779) is 4-[5-(5-fluoropyrimidin-2-yl)-2-nitrophenyl]morpholine.
What is the SMILES notation for 4-[5-(5-fluoropyrimidin-2-yl)-2-nitrophenyl]morpholine?
The canonical SMILES for 4-[5-(5-fluoropyrimidin-2-yl)-2-nitrophenyl]morpholine is O=[N+]([O-])c1ccc(-c2ncc(F)cn2)cc1N1CCOCC1.
What is the InChIKey of 4-[5-(5-fluoropyrimidin-2-yl)-2-nitrophenyl]morpholine?
The InChIKey is RCMYDXFXBOSTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O3/c15-11-8-16-14(17-9-11)10-1-2-12(19(20)21)13(7-10)18-3-5-22-6-4-18/h1-2,7-9H,3-6H2.
What are the key properties of 4-[5-(5-fluoropyrimidin-2-yl)-2-nitrophenyl]morpholine?
4-[5-(5-fluoropyrimidin-2-yl)-2-nitrophenyl]morpholine has a molecular weight of 304.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-fluoropyrimidin-2-yl)-2-nitrophenyl]morpholine is sourced from PubChem (CID 151690779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).