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

C10H15N3O5 — CID 79889536

IUPAC1-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propan-2-ol
SMILESCOCC(O)CNc1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O5/c1-17-6-7(14)5-11-10-8(13(15)16)3-4-9(12-10)18-2/h3-4,7,14H,5-6H2,1-2H3,(H,11,12)
InChIKeySYMQZXDJVSVMFG-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.42
Rot. Bonds7

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

1-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propan-2-ol (PubChem CID 79889536) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propan-2-ol
PubChem CID79889536
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name1-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propan-2-ol
SMILESCOCC(O)CNc1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O5/c1-17-6-7(14)5-11-10-8(13(15)16)3-4-9(12-10)18-2/h3-4,7,14H,5-6H2,1-2H3,(H,11,12)
InChIKeySYMQZXDJVSVMFG-UHFFFAOYSA-N
XLogP0.42
TPSA106.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
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

1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol
CID 115702124
N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
1-methoxy-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 80712438
4-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 106157692
1-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 79815785
6-methoxy-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 115321590
6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine
CID 113286768
N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 22141713
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918200
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 113286719
2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid
CID 115321260
N-ethyl-2-[(6-methoxy-3-nitro-2-pyridinyl)amino]acetamide
CID 115321441

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propan-2-ol (CID 79889536) is 1-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propan-2-ol is COCC(O)CNc1nc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of 1-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propan-2-ol?
The InChIKey is SYMQZXDJVSVMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/c1-17-6-7(14)5-11-10-8(13(15)16)3-4-9(12-10)18-2/h3-4,7,14H,5-6H2,1-2H3,(H,11,12).
What are the key properties of 1-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propan-2-ol?
1-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propan-2-ol has a molecular weight of 257.25 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propan-2-ol is sourced from PubChem (CID 79889536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).