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

C12H17N3O4 — CID 114779409

IUPAC[6,6-dimethyl-4-(6-nitro-3-pyridinyl)morpholin-2-yl]methanol
SMILESCC1(C)CN(c2ccc([N+](=O)[O-])nc2)CC(CO)O1
InChIInChI=1S/C12H17N3O4/c1-12(2)8-14(6-10(7-16)19-12)9-3-4-11(13-5-9)15(17)18/h3-5,10,16H,6-8H2,1-2H3
InChIKeyTTZZAJXNSCWROC-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.97
Rot. Bonds3

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

[6,6-dimethyl-4-(6-nitro-3-pyridinyl)morpholin-2-yl]methanol (PubChem CID 114779409) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is [6,6-dimethyl-4-(6-nitro-3-pyridinyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[6,6-dimethyl-4-(6-nitro-3-pyridinyl)morpholin-2-yl]methanol
PubChem CID114779409
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name[6,6-dimethyl-4-(6-nitro-3-pyridinyl)morpholin-2-yl]methanol
SMILESCC1(C)CN(c2ccc([N+](=O)[O-])nc2)CC(CO)O1
InChIInChI=1S/C12H17N3O4/c1-12(2)8-14(6-10(7-16)19-12)9-3-4-11(13-5-9)15(17)18/h3-5,10,16H,6-8H2,1-2H3
InChIKeyTTZZAJXNSCWROC-UHFFFAOYSA-N
XLogP0.97
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.97
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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Related Compounds

[4-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 104969843
[4-(6-chloro-5-nitropyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114777961
[6,6-dimethyl-4-[6-(methylamino)-3-nitro-2-pyridinyl]morpholin-2-yl]methanol
CID 114782729
4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzaldehyde
CID 114777267
[4-(4-chloro-2-nitrophenyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779472
4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile
CID 114776853
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid
CID 114777180
5-(3,5-dimethylpiperidin-1-yl)-2-nitropyridine
CID 4780110
[6,6-dimethyl-4-(3-methylsulfonyl-2-pyridinyl)morpholin-2-yl]methanol
CID 114779341
6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carbaldehyde
CID 114777262
1-(6-nitro-3-pyridinyl)piperidin-3-ol
CID 60631861
3,3-dimethyl-1-(6-nitro-3-pyridinyl)piperazine
CID 82994580

Frequently Asked Questions

What is the IUPAC name of [6,6-dimethyl-4-(6-nitro-3-pyridinyl)morpholin-2-yl]methanol?
The IUPAC name of [6,6-dimethyl-4-(6-nitro-3-pyridinyl)morpholin-2-yl]methanol (CID 114779409) is [6,6-dimethyl-4-(6-nitro-3-pyridinyl)morpholin-2-yl]methanol.
What is the SMILES notation for [6,6-dimethyl-4-(6-nitro-3-pyridinyl)morpholin-2-yl]methanol?
The canonical SMILES for [6,6-dimethyl-4-(6-nitro-3-pyridinyl)morpholin-2-yl]methanol is CC1(C)CN(c2ccc([N+](=O)[O-])nc2)CC(CO)O1.
What is the InChIKey of [6,6-dimethyl-4-(6-nitro-3-pyridinyl)morpholin-2-yl]methanol?
The InChIKey is TTZZAJXNSCWROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-12(2)8-14(6-10(7-16)19-12)9-3-4-11(13-5-9)15(17)18/h3-5,10,16H,6-8H2,1-2H3.
What are the key properties of [6,6-dimethyl-4-(6-nitro-3-pyridinyl)morpholin-2-yl]methanol?
[6,6-dimethyl-4-(6-nitro-3-pyridinyl)morpholin-2-yl]methanol has a molecular weight of 267.29 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6,6-dimethyl-4-(6-nitro-3-pyridinyl)morpholin-2-yl]methanol is sourced from PubChem (CID 114779409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).