[4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]morpholin-2-yl]methanol

C13H19N3O4 — CID 103182805

IUPAC[4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]morpholin-2-yl]methanol
SMILESCc1cnc(CN2CCOC(CO)C2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O4/c1-9-5-14-12(10(2)13(9)16(18)19)7-15-3-4-20-11(6-15)8-17/h5,11,17H,3-4,6-8H2,1-2H3
InChIKeyHUUGBXCPDXVYHU-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.80
Rot. Bonds4

About [4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]morpholin-2-yl]methanol

[4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]morpholin-2-yl]methanol (PubChem CID 103182805) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is [4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]morpholin-2-yl]methanol
PubChem CID103182805
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name[4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]morpholin-2-yl]methanol
SMILESCc1cnc(CN2CCOC(CO)C2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O4/c1-9-5-14-12(10(2)13(9)16(18)19)7-15-3-4-20-11(6-15)8-17/h5,11,17H,3-4,6-8H2,1-2H3
InChIKeyHUUGBXCPDXVYHU-UHFFFAOYSA-N
XLogP0.80
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.80
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

1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]azetidin-3-amine
CID 103186311
1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N-methylpiperidin-3-amine
CID 103186282
[4-[(5-methyl-1,3-oxazol-4-yl)methyl]morpholin-2-yl]methanol
CID 115772870
[1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]azepan-2-yl]methanol
CID 103182849
[4-[(4-nitrophenyl)methyl]morpholin-2-yl]methanol
CID 79833713
1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 103186358
1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-4-methylpiperidine-4-carbonitrile
CID 107160811
1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 103186194
2-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]pyrazole-3-carboxylic acid
CID 103186054
[4-[(2,4-dinitrophenyl)methyl]morpholin-2-yl]methanol
CID 81207931
[4-[[3-(methylamino)-4-nitrophenyl]methyl]morpholin-2-yl]methanol
CID 81213023
N-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 103185557

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]morpholin-2-yl]methanol (CID 103182805) is [4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]morpholin-2-yl]methanol is Cc1cnc(CN2CCOC(CO)C2)c(C)c1[N+](=O)[O-].
What is the InChIKey of [4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]morpholin-2-yl]methanol?
The InChIKey is HUUGBXCPDXVYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-9-5-14-12(10(2)13(9)16(18)19)7-15-3-4-20-11(6-15)8-17/h5,11,17H,3-4,6-8H2,1-2H3.
What are the key properties of [4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]morpholin-2-yl]methanol?
[4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]morpholin-2-yl]methanol has a molecular weight of 281.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 103182805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).