4-(3-methyl-5-nitro-2-pyridinyl)morpholine

C10H13N3O3 — CID 4183387

IUPAC4-(3-methyl-5-nitro-2-pyridinyl)morpholine
SMILESCc1cc([N+](=O)[O-])cnc1N1CCOCC1
InChIInChI=1S/C10H13N3O3/c1-8-6-9(13(14)15)7-11-10(8)12-2-4-16-5-3-12/h6-7H,2-5H2,1H3
InChIKeyBJMPEXIOBKRJRT-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.13
Rot. Bonds2

About 4-(3-methyl-5-nitro-2-pyridinyl)morpholine

4-(3-methyl-5-nitro-2-pyridinyl)morpholine (PubChem CID 4183387) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-(3-methyl-5-nitro-2-pyridinyl)morpholine.

Molecular Properties

Compound Name4-(3-methyl-5-nitro-2-pyridinyl)morpholine
PubChem CID4183387
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name4-(3-methyl-5-nitro-2-pyridinyl)morpholine
SMILESCc1cc([N+](=O)[O-])cnc1N1CCOCC1
InChIInChI=1S/C10H13N3O3/c1-8-6-9(13(14)15)7-11-10(8)12-2-4-16-5-3-12/h6-7H,2-5H2,1H3
InChIKeyBJMPEXIOBKRJRT-UHFFFAOYSA-N
XLogP1.13
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.13
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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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-5-nitro-2-pyridinyl)morpholine?
The IUPAC name of 4-(3-methyl-5-nitro-2-pyridinyl)morpholine (CID 4183387) is 4-(3-methyl-5-nitro-2-pyridinyl)morpholine.
What is the SMILES notation for 4-(3-methyl-5-nitro-2-pyridinyl)morpholine?
The canonical SMILES for 4-(3-methyl-5-nitro-2-pyridinyl)morpholine is Cc1cc([N+](=O)[O-])cnc1N1CCOCC1.
What is the InChIKey of 4-(3-methyl-5-nitro-2-pyridinyl)morpholine?
The InChIKey is BJMPEXIOBKRJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-8-6-9(13(14)15)7-11-10(8)12-2-4-16-5-3-12/h6-7H,2-5H2,1H3.
What are the key properties of 4-(3-methyl-5-nitro-2-pyridinyl)morpholine?
4-(3-methyl-5-nitro-2-pyridinyl)morpholine has a molecular weight of 223.23 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-5-nitro-2-pyridinyl)morpholine is sourced from PubChem (CID 4183387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).