(2S,6R)-4-(6-chloro-3-nitro-2-pyridinyl)-2,6-dimethylmorpholine

C11H14ClN3O3 — CID 104959790

IUPAC(2S,6R)-4-(6-chloro-3-nitro-2-pyridinyl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2nc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1
InChIInChI=1S/C11H14ClN3O3/c1-7-5-14(6-8(2)18-7)11-9(15(16)17)3-4-10(12)13-11/h3-4,7-8H,5-6H2,1-2H3/t7-,8+
InChIKeyHJRKCTDXUWOQHU-OCAPTIKFSA-N
MW271.70 g/mol
LogP2.26
Rot. Bonds2

About (2S,6R)-4-(6-chloro-3-nitro-2-pyridinyl)-2,6-dimethylmorpholine

(2S,6R)-4-(6-chloro-3-nitro-2-pyridinyl)-2,6-dimethylmorpholine (PubChem CID 104959790) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is (2S,6R)-4-(6-chloro-3-nitro-2-pyridinyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-(6-chloro-3-nitro-2-pyridinyl)-2,6-dimethylmorpholine
PubChem CID104959790
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name(2S,6R)-4-(6-chloro-3-nitro-2-pyridinyl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2nc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1
InChIInChI=1S/C11H14ClN3O3/c1-7-5-14(6-8(2)18-7)11-9(15(16)17)3-4-10(12)13-11/h3-4,7-8H,5-6H2,1-2H3/t7-,8+
InChIKeyHJRKCTDXUWOQHU-OCAPTIKFSA-N
XLogP2.26
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

[4-(6-chloro-3-nitro-2-pyridinyl)-6-methylmorpholin-2-yl]methanol
CID 102933958
6-chloro-2-(3,4-dimethylpyrrolidin-1-yl)-3-nitropyridine
CID 79180812
6-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-3-nitropyridine
CID 102963203
(2S,6R)-4-(6-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylmorpholine
CID 170774991
1-(6-chloro-3-nitro-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine
CID 55158602
6-chloro-2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 63376481
6-(2-methylmorpholin-4-yl)-5-nitropyridin-2-amine
CID 80764724
1-(6-chloro-3-nitro-2-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168710216
(2R,6R)-2,6-dimethyl-4-(2-nitrophenyl)morpholine
CID 7210197
3,5-dimethyl-1-(6-methyl-3-nitro-2-pyridinyl)piperazine
CID 81132745
2-(6-chloro-3-nitro-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856689
1-butan-2-yl-4-(6-chloro-3-nitro-2-pyridinyl)piperazine
CID 62775570

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(6-chloro-3-nitro-2-pyridinyl)-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-(6-chloro-3-nitro-2-pyridinyl)-2,6-dimethylmorpholine (CID 104959790) is (2S,6R)-4-(6-chloro-3-nitro-2-pyridinyl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-(6-chloro-3-nitro-2-pyridinyl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-(6-chloro-3-nitro-2-pyridinyl)-2,6-dimethylmorpholine is C[C@@H]1CN(c2nc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-(6-chloro-3-nitro-2-pyridinyl)-2,6-dimethylmorpholine?
The InChIKey is HJRKCTDXUWOQHU-OCAPTIKFSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-7-5-14(6-8(2)18-7)11-9(15(16)17)3-4-10(12)13-11/h3-4,7-8H,5-6H2,1-2H3/t7-,8+.
What are the key properties of (2S,6R)-4-(6-chloro-3-nitro-2-pyridinyl)-2,6-dimethylmorpholine?
(2S,6R)-4-(6-chloro-3-nitro-2-pyridinyl)-2,6-dimethylmorpholine has a molecular weight of 271.70 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(6-chloro-3-nitro-2-pyridinyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 104959790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).