1-methoxy-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol

C10H15N3O4 — CID 80712438

IUPAC1-methoxy-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
SMILESCOCC(O)CNc1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C10H15N3O4/c1-7-9(13(15)16)3-4-10(12-7)11-5-8(14)6-17-2/h3-4,8,14H,5-6H2,1-2H3,(H,11,12)
InChIKeyXGXLCIFVMSJJBT-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.72
Rot. Bonds6

About 1-methoxy-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol

1-methoxy-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol (PubChem CID 80712438) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-methoxy-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
PubChem CID80712438
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name1-methoxy-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
SMILESCOCC(O)CNc1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C10H15N3O4/c1-7-9(13(15)16)3-4-10(12-7)11-5-8(14)6-17-2/h3-4,8,14H,5-6H2,1-2H3,(H,11,12)
InChIKeyXGXLCIFVMSJJBT-UHFFFAOYSA-N
XLogP0.72
TPSA97.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.72
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

1-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 79815785
1-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-2-ol
CID 11436054
N-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine
CID 102698850
1-methoxy-3-(3-methyl-4-nitroanilino)propan-2-ol
CID 56791636
1-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propan-2-ol
CID 79889536
N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine
CID 80712210
N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80712219
1-methoxy-3-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 80718215
2-methoxy-N-(6-methyl-5-nitro-2-pyridinyl)acetamide
CID 67266270
N,N-dimethyl-N'-(6-methyl-5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine
CID 133361606
1-methoxy-3-(4-nitro-3-propan-2-yloxyanilino)propan-2-ol
CID 83013242
N-[(4-methoxyphenyl)methyl]-6-methyl-5-nitropyridin-2-amine
CID 80718457

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol (CID 80712438) is 1-methoxy-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol is COCC(O)CNc1ccc([N+](=O)[O-])c(C)n1.
What is the InChIKey of 1-methoxy-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol?
The InChIKey is XGXLCIFVMSJJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-7-9(13(15)16)3-4-10(12-7)11-5-8(14)6-17-2/h3-4,8,14H,5-6H2,1-2H3,(H,11,12).
What are the key properties of 1-methoxy-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol?
1-methoxy-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol has a molecular weight of 241.25 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol is sourced from PubChem (CID 80712438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).