1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]-2-nitroethanol

C15H16N2O5 — CID 24728313

IUPAC1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]-2-nitroethanol
SMILESO=[N+]([O-])CC(O)c1ccc(OCc2ccccc2)c(CO)n1
InChIInChI=1S/C15H16N2O5/c18-9-13-15(22-10-11-4-2-1-3-5-11)7-6-12(16-13)14(19)8-17(20)21/h1-7,14,18-19H,8-10H2
InChIKeyYIFXZKBXHQSPSV-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.46
Rot. Bonds7

About 1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]-2-nitroethanol

1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]-2-nitroethanol (PubChem CID 24728313) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]-2-nitroethanol.

Molecular Properties

Compound Name1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]-2-nitroethanol
PubChem CID24728313
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]-2-nitroethanol
SMILESO=[N+]([O-])CC(O)c1ccc(OCc2ccccc2)c(CO)n1
InChIInChI=1S/C15H16N2O5/c18-9-13-15(22-10-11-4-2-1-3-5-11)7-6-12(16-13)14(19)8-17(20)21/h1-7,14,18-19H,8-10H2
InChIKeyYIFXZKBXHQSPSV-UHFFFAOYSA-N
XLogP1.46
TPSA105.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.46
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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Frequently Asked Questions

What is the IUPAC name of 1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]-2-nitroethanol?
The IUPAC name of 1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]-2-nitroethanol (CID 24728313) is 1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]-2-nitroethanol.
What is the SMILES notation for 1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]-2-nitroethanol?
The canonical SMILES for 1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]-2-nitroethanol is O=[N+]([O-])CC(O)c1ccc(OCc2ccccc2)c(CO)n1.
What is the InChIKey of 1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]-2-nitroethanol?
The InChIKey is YIFXZKBXHQSPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c18-9-13-15(22-10-11-4-2-1-3-5-11)7-6-12(16-13)14(19)8-17(20)21/h1-7,14,18-19H,8-10H2.
What are the key properties of 1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]-2-nitroethanol?
1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]-2-nitroethanol has a molecular weight of 304.30 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]-2-nitroethanol is sourced from PubChem (CID 24728313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).