[4-[(6-amino-4-nitro-2-pyridinyl)amino]oxan-4-yl]methanol

C11H16N4O4 — CID 106301141

IUPAC[4-[(6-amino-4-nitro-2-pyridinyl)amino]oxan-4-yl]methanol
SMILESNc1cc([N+](=O)[O-])cc(NC2(CO)CCOCC2)n1
InChIInChI=1S/C11H16N4O4/c12-9-5-8(15(17)18)6-10(13-9)14-11(7-16)1-3-19-4-2-11/h5-6,16H,1-4,7H2,(H3,12,13,14)
InChIKeyYXPUXMFZPQTOBZ-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.53
Rot. Bonds4

About [4-[(6-amino-4-nitro-2-pyridinyl)amino]oxan-4-yl]methanol

[4-[(6-amino-4-nitro-2-pyridinyl)amino]oxan-4-yl]methanol (PubChem CID 106301141) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is [4-[(6-amino-4-nitro-2-pyridinyl)amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(6-amino-4-nitro-2-pyridinyl)amino]oxan-4-yl]methanol
PubChem CID106301141
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name[4-[(6-amino-4-nitro-2-pyridinyl)amino]oxan-4-yl]methanol
SMILESNc1cc([N+](=O)[O-])cc(NC2(CO)CCOCC2)n1
InChIInChI=1S/C11H16N4O4/c12-9-5-8(15(17)18)6-10(13-9)14-11(7-16)1-3-19-4-2-11/h5-6,16H,1-4,7H2,(H3,12,13,14)
InChIKeyYXPUXMFZPQTOBZ-UHFFFAOYSA-N
XLogP0.53
TPSA123.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxan-4-yl]methanol
CID 106301120
[4-[(6-amino-2-propylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106301136
[4-(3-nitroanilino)oxan-4-yl]methanol
CID 114170363
[4-[3-(ethylamino)-5-nitroanilino]oxan-4-yl]methanol
CID 106301187
[4-[(4-amino-6-chloro-2-pyridinyl)amino]oxan-4-yl]methanol
CID 114169989
[4-[(6-amino-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106301168
[4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 114170393
[4-(4-iodo-2-nitroanilino)oxan-4-yl]methanol
CID 106299967
[4-(5-bromo-2-nitroanilino)oxan-4-yl]methanol
CID 106299516
[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106300524
[4-[(6-methyl-3-nitro-2-pyridinyl)amino]oxan-4-yl]methanol
CID 106299450
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-5-nitrobenzamide
CID 104630621

Frequently Asked Questions

What is the IUPAC name of [4-[(6-amino-4-nitro-2-pyridinyl)amino]oxan-4-yl]methanol?
The IUPAC name of [4-[(6-amino-4-nitro-2-pyridinyl)amino]oxan-4-yl]methanol (CID 106301141) is [4-[(6-amino-4-nitro-2-pyridinyl)amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(6-amino-4-nitro-2-pyridinyl)amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(6-amino-4-nitro-2-pyridinyl)amino]oxan-4-yl]methanol is Nc1cc([N+](=O)[O-])cc(NC2(CO)CCOCC2)n1.
What is the InChIKey of [4-[(6-amino-4-nitro-2-pyridinyl)amino]oxan-4-yl]methanol?
The InChIKey is YXPUXMFZPQTOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c12-9-5-8(15(17)18)6-10(13-9)14-11(7-16)1-3-19-4-2-11/h5-6,16H,1-4,7H2,(H3,12,13,14).
What are the key properties of [4-[(6-amino-4-nitro-2-pyridinyl)amino]oxan-4-yl]methanol?
[4-[(6-amino-4-nitro-2-pyridinyl)amino]oxan-4-yl]methanol has a molecular weight of 268.27 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-amino-4-nitro-2-pyridinyl)amino]oxan-4-yl]methanol is sourced from PubChem (CID 106301141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).