[4-(6-chloro-4-nitro-2-pyridinyl)morpholin-3-yl]methanol

C10H12ClN3O4 — CID 114070875

IUPAC[4-(6-chloro-4-nitro-2-pyridinyl)morpholin-3-yl]methanol
SMILESO=[N+]([O-])c1cc(Cl)nc(N2CCOCC2CO)c1
InChIInChI=1S/C10H12ClN3O4/c11-9-3-7(14(16)17)4-10(12-9)13-1-2-18-6-8(13)5-15/h3-4,8,15H,1-2,5-6H2
InChIKeyVRKUEWHUFXRCBG-UHFFFAOYSA-N
MW273.68 g/mol
LogP0.84
Rot. Bonds3

About [4-(6-chloro-4-nitro-2-pyridinyl)morpholin-3-yl]methanol

[4-(6-chloro-4-nitro-2-pyridinyl)morpholin-3-yl]methanol (PubChem CID 114070875) has the molecular formula C10H12ClN3O4 and a molecular weight of 273.68 g/mol. Its IUPAC name is [4-(6-chloro-4-nitro-2-pyridinyl)morpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-(6-chloro-4-nitro-2-pyridinyl)morpholin-3-yl]methanol
PubChem CID114070875
Molecular FormulaC10H12ClN3O4
Molecular Weight273.68 g/mol
Exact Mass273.05
IUPAC Name[4-(6-chloro-4-nitro-2-pyridinyl)morpholin-3-yl]methanol
SMILESO=[N+]([O-])c1cc(Cl)nc(N2CCOCC2CO)c1
InChIInChI=1S/C10H12ClN3O4/c11-9-3-7(14(16)17)4-10(12-9)13-1-2-18-6-8(13)5-15/h3-4,8,15H,1-2,5-6H2
InChIKeyVRKUEWHUFXRCBG-UHFFFAOYSA-N
XLogP0.84
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-(6-chloro-4-nitro-2-pyridinyl)morpholin-3-yl]methanol?
The IUPAC name of [4-(6-chloro-4-nitro-2-pyridinyl)morpholin-3-yl]methanol (CID 114070875) is [4-(6-chloro-4-nitro-2-pyridinyl)morpholin-3-yl]methanol.
What is the SMILES notation for [4-(6-chloro-4-nitro-2-pyridinyl)morpholin-3-yl]methanol?
The canonical SMILES for [4-(6-chloro-4-nitro-2-pyridinyl)morpholin-3-yl]methanol is O=[N+]([O-])c1cc(Cl)nc(N2CCOCC2CO)c1.
What is the InChIKey of [4-(6-chloro-4-nitro-2-pyridinyl)morpholin-3-yl]methanol?
The InChIKey is VRKUEWHUFXRCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O4/c11-9-3-7(14(16)17)4-10(12-9)13-1-2-18-6-8(13)5-15/h3-4,8,15H,1-2,5-6H2.
What are the key properties of [4-(6-chloro-4-nitro-2-pyridinyl)morpholin-3-yl]methanol?
[4-(6-chloro-4-nitro-2-pyridinyl)morpholin-3-yl]methanol has a molecular weight of 273.68 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-4-nitro-2-pyridinyl)morpholin-3-yl]methanol is sourced from PubChem (CID 114070875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).