3-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]propane-1,2-diol

C10H15N3O5 — CID 69333966

IUPAC3-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]propane-1,2-diol
SMILESCOc1ccc([N+](=O)[O-])c(N(C)CC(O)CO)n1
InChIInChI=1S/C10H15N3O5/c1-12(5-7(15)6-14)10-8(13(16)17)3-4-9(11-10)18-2/h3-4,7,14-15H,5-6H2,1-2H3
InChIKeyITOIBCKCGGRDGA-UHFFFAOYSA-N
MW257.25 g/mol
LogP-0.21
Rot. Bonds6

About 3-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]propane-1,2-diol

3-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]propane-1,2-diol (PubChem CID 69333966) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]propane-1,2-diol
PubChem CID69333966
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name3-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]propane-1,2-diol
SMILESCOc1ccc([N+](=O)[O-])c(N(C)CC(O)CO)n1
InChIInChI=1S/C10H15N3O5/c1-12(5-7(15)6-14)10-8(13(16)17)3-4-9(11-10)18-2/h3-4,7,14-15H,5-6H2,1-2H3
InChIKeyITOIBCKCGGRDGA-UHFFFAOYSA-N
XLogP-0.21
TPSA108.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-0.21
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

4-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]butan-2-ol
CID 113252246
6-methoxy-N-methyl-3-nitro-N-propylpyridin-2-amine
CID 58903907
6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine
CID 53407025
1-methoxy-3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-ol
CID 80810495
3-[(6-methoxy-3-nitro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 115323357
1-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]propan-2-ol
CID 62337373
6-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine
CID 154749946
N-(azetidin-3-yl)-6-methoxy-N-methyl-3-nitropyridin-2-amine
CID 113286974
2-[cyclohexyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol
CID 58903886
1-(6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethanamine
CID 174432384
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 112703231
1-cyclopropyl-2-(6-methoxy-3-nitro-2-pyridinyl)ethanol
CID 115323510

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]propane-1,2-diol?
The IUPAC name of 3-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]propane-1,2-diol (CID 69333966) is 3-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]propane-1,2-diol?
The canonical SMILES for 3-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]propane-1,2-diol is COc1ccc([N+](=O)[O-])c(N(C)CC(O)CO)n1.
What is the InChIKey of 3-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]propane-1,2-diol?
The InChIKey is ITOIBCKCGGRDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/c1-12(5-7(15)6-14)10-8(13(16)17)3-4-9(11-10)18-2/h3-4,7,14-15H,5-6H2,1-2H3.
What are the key properties of 3-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]propane-1,2-diol?
3-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]propane-1,2-diol has a molecular weight of 257.25 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]propane-1,2-diol is sourced from PubChem (CID 69333966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).