[5-methyl-4-(4-nitro-2-pyridinyl)morpholin-2-yl]methanol

C11H15N3O4 — CID 81219361

IUPAC[5-methyl-4-(4-nitro-2-pyridinyl)morpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C11H15N3O4/c1-8-7-18-10(6-15)5-13(8)11-4-9(14(16)17)2-3-12-11/h2-4,8,10,15H,5-7H2,1H3
InChIKeyRHSFOOQORABRMN-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.58
Rot. Bonds3

About [5-methyl-4-(4-nitro-2-pyridinyl)morpholin-2-yl]methanol

[5-methyl-4-(4-nitro-2-pyridinyl)morpholin-2-yl]methanol (PubChem CID 81219361) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is [5-methyl-4-(4-nitro-2-pyridinyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[5-methyl-4-(4-nitro-2-pyridinyl)morpholin-2-yl]methanol
PubChem CID81219361
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name[5-methyl-4-(4-nitro-2-pyridinyl)morpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C11H15N3O4/c1-8-7-18-10(6-15)5-13(8)11-4-9(14(16)17)2-3-12-11/h2-4,8,10,15H,5-7H2,1H3
InChIKeyRHSFOOQORABRMN-UHFFFAOYSA-N
XLogP0.58
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
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 [5-methyl-4-(4-nitro-2-pyridinyl)morpholin-2-yl]methanol?
The IUPAC name of [5-methyl-4-(4-nitro-2-pyridinyl)morpholin-2-yl]methanol (CID 81219361) is [5-methyl-4-(4-nitro-2-pyridinyl)morpholin-2-yl]methanol.
What is the SMILES notation for [5-methyl-4-(4-nitro-2-pyridinyl)morpholin-2-yl]methanol?
The canonical SMILES for [5-methyl-4-(4-nitro-2-pyridinyl)morpholin-2-yl]methanol is CC1COC(CO)CN1c1cc([N+](=O)[O-])ccn1.
What is the InChIKey of [5-methyl-4-(4-nitro-2-pyridinyl)morpholin-2-yl]methanol?
The InChIKey is RHSFOOQORABRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-8-7-18-10(6-15)5-13(8)11-4-9(14(16)17)2-3-12-11/h2-4,8,10,15H,5-7H2,1H3.
What are the key properties of [5-methyl-4-(4-nitro-2-pyridinyl)morpholin-2-yl]methanol?
[5-methyl-4-(4-nitro-2-pyridinyl)morpholin-2-yl]methanol has a molecular weight of 253.26 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(4-nitro-2-pyridinyl)morpholin-2-yl]methanol is sourced from PubChem (CID 81219361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).