[4-[(6-methyl-3-nitro-2-pyridinyl)amino]oxan-4-yl]methanol

C12H17N3O4 — CID 106299450

IUPAC[4-[(6-methyl-3-nitro-2-pyridinyl)amino]oxan-4-yl]methanol
SMILESCc1ccc([N+](=O)[O-])c(NC2(CO)CCOCC2)n1
InChIInChI=1S/C12H17N3O4/c1-9-2-3-10(15(17)18)11(13-9)14-12(8-16)4-6-19-7-5-12/h2-3,16H,4-8H2,1H3,(H,13,14)
InChIKeyFFXDCHAXNOQTAO-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.25
Rot. Bonds4

About [4-[(6-methyl-3-nitro-2-pyridinyl)amino]oxan-4-yl]methanol

[4-[(6-methyl-3-nitro-2-pyridinyl)amino]oxan-4-yl]methanol (PubChem CID 106299450) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is [4-[(6-methyl-3-nitro-2-pyridinyl)amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(6-methyl-3-nitro-2-pyridinyl)amino]oxan-4-yl]methanol
PubChem CID106299450
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name[4-[(6-methyl-3-nitro-2-pyridinyl)amino]oxan-4-yl]methanol
SMILESCc1ccc([N+](=O)[O-])c(NC2(CO)CCOCC2)n1
InChIInChI=1S/C12H17N3O4/c1-9-2-3-10(15(17)18)11(13-9)14-12(8-16)4-6-19-7-5-12/h2-3,16H,4-8H2,1H3,(H,13,14)
InChIKeyFFXDCHAXNOQTAO-UHFFFAOYSA-N
XLogP1.25
TPSA97.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
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

N-[1-(aminomethyl)cyclopentyl]-6-methyl-3-nitropyridin-2-amine
CID 81135916
[4-(4-iodo-2-nitroanilino)oxan-4-yl]methanol
CID 106299967
[4-(5-bromo-2-nitroanilino)oxan-4-yl]methanol
CID 106299516
[4-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexyl]methanol
CID 80803369
1-[[(6-methyl-3-nitro-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312206
N-[4-(hydroxymethyl)oxan-4-yl]-5-methyl-2-nitrobenzamide
CID 106297438
[4-[(6-amino-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106301168
[4-[(6-chloro-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 114170521
[1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]methanol
CID 115731831
[4-[3-(methylamino)-2-nitroanilino]oxan-4-yl]methanol
CID 106301126
[4-(3-nitroanilino)oxan-4-yl]methanol
CID 114170363
6-methyl-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine
CID 113260898

Frequently Asked Questions

What is the IUPAC name of [4-[(6-methyl-3-nitro-2-pyridinyl)amino]oxan-4-yl]methanol?
The IUPAC name of [4-[(6-methyl-3-nitro-2-pyridinyl)amino]oxan-4-yl]methanol (CID 106299450) is [4-[(6-methyl-3-nitro-2-pyridinyl)amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(6-methyl-3-nitro-2-pyridinyl)amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(6-methyl-3-nitro-2-pyridinyl)amino]oxan-4-yl]methanol is Cc1ccc([N+](=O)[O-])c(NC2(CO)CCOCC2)n1.
What is the InChIKey of [4-[(6-methyl-3-nitro-2-pyridinyl)amino]oxan-4-yl]methanol?
The InChIKey is FFXDCHAXNOQTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-9-2-3-10(15(17)18)11(13-9)14-12(8-16)4-6-19-7-5-12/h2-3,16H,4-8H2,1H3,(H,13,14).
What are the key properties of [4-[(6-methyl-3-nitro-2-pyridinyl)amino]oxan-4-yl]methanol?
[4-[(6-methyl-3-nitro-2-pyridinyl)amino]oxan-4-yl]methanol has a molecular weight of 267.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-methyl-3-nitro-2-pyridinyl)amino]oxan-4-yl]methanol is sourced from PubChem (CID 106299450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).