4-(3-fluoro-5-nitro-2-pyridinyl)-2-(methoxymethyl)morpholine

C11H14FN3O4 — CID 122152943

IUPAC4-(3-fluoro-5-nitro-2-pyridinyl)-2-(methoxymethyl)morpholine
SMILESCOCC1CN(c2ncc([N+](=O)[O-])cc2F)CCO1
InChIInChI=1S/C11H14FN3O4/c1-18-7-9-6-14(2-3-19-9)11-10(12)4-8(5-13-11)15(16)17/h4-5,9H,2-3,6-7H2,1H3
InChIKeyJRIZFZACEYFKRR-UHFFFAOYSA-N
MW271.25 g/mol
LogP0.98
Rot. Bonds4

About 4-(3-fluoro-5-nitro-2-pyridinyl)-2-(methoxymethyl)morpholine

4-(3-fluoro-5-nitro-2-pyridinyl)-2-(methoxymethyl)morpholine (PubChem CID 122152943) has the molecular formula C11H14FN3O4 and a molecular weight of 271.25 g/mol. Its IUPAC name is 4-(3-fluoro-5-nitro-2-pyridinyl)-2-(methoxymethyl)morpholine.

Molecular Properties

Compound Name4-(3-fluoro-5-nitro-2-pyridinyl)-2-(methoxymethyl)morpholine
PubChem CID122152943
Molecular FormulaC11H14FN3O4
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name4-(3-fluoro-5-nitro-2-pyridinyl)-2-(methoxymethyl)morpholine
SMILESCOCC1CN(c2ncc([N+](=O)[O-])cc2F)CCO1
InChIInChI=1S/C11H14FN3O4/c1-18-7-9-6-14(2-3-19-9)11-10(12)4-8(5-13-11)15(16)17/h4-5,9H,2-3,6-7H2,1H3
InChIKeyJRIZFZACEYFKRR-UHFFFAOYSA-N
XLogP0.98
TPSA77.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 50.98
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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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-nitro-2-pyridinyl)-2-(methoxymethyl)morpholine?
The IUPAC name of 4-(3-fluoro-5-nitro-2-pyridinyl)-2-(methoxymethyl)morpholine (CID 122152943) is 4-(3-fluoro-5-nitro-2-pyridinyl)-2-(methoxymethyl)morpholine.
What is the SMILES notation for 4-(3-fluoro-5-nitro-2-pyridinyl)-2-(methoxymethyl)morpholine?
The canonical SMILES for 4-(3-fluoro-5-nitro-2-pyridinyl)-2-(methoxymethyl)morpholine is COCC1CN(c2ncc([N+](=O)[O-])cc2F)CCO1.
What is the InChIKey of 4-(3-fluoro-5-nitro-2-pyridinyl)-2-(methoxymethyl)morpholine?
The InChIKey is JRIZFZACEYFKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O4/c1-18-7-9-6-14(2-3-19-9)11-10(12)4-8(5-13-11)15(16)17/h4-5,9H,2-3,6-7H2,1H3.
What are the key properties of 4-(3-fluoro-5-nitro-2-pyridinyl)-2-(methoxymethyl)morpholine?
4-(3-fluoro-5-nitro-2-pyridinyl)-2-(methoxymethyl)morpholine has a molecular weight of 271.25 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-nitro-2-pyridinyl)-2-(methoxymethyl)morpholine is sourced from PubChem (CID 122152943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).