(1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol

C13H12N2O4 — CID 83125211

IUPAC(1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol
SMILESC[C@@H](O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C13H12N2O4/c1-9(16)13-7-6-12(8-14-13)19-11-4-2-10(3-5-11)15(17)18/h2-9,16H,1H3/t9-/m1/s1
InChIKeyHIAGZMUQGIZMJW-SECBINFHSA-N
MW260.25 g/mol
LogP2.84
Rot. Bonds4

About (1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol

(1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol (PubChem CID 83125211) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is (1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol
PubChem CID83125211
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name(1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol
SMILESC[C@@H](O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C13H12N2O4/c1-9(16)13-7-6-12(8-14-13)19-11-4-2-10(3-5-11)15(17)18/h2-9,16H,1H3/t9-/m1/s1
InChIKeyHIAGZMUQGIZMJW-SECBINFHSA-N
XLogP2.84
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940555
(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83109459
1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125212
1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-amine
CID 115940057
(1S)-1-[5-(5-chloro-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124657
1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124582
(1R)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125617
1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 102702826
(1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124972
5-(4-nitrophenoxy)pyridine-2-carbonitrile
CID 115487944
(1S)-1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]ethanol
CID 83124503
2-(1-bromoethyl)-5-(4-nitrophenyl)pyridine;1-[5-(4-nitrophenyl)-2-pyridinyl]ethanol;tribromophosphane
CID 159812704

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol (CID 83125211) is (1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol is C[C@@H](O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cn1.
What is the InChIKey of (1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol?
The InChIKey is HIAGZMUQGIZMJW-SECBINFHSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-9(16)13-7-6-12(8-14-13)19-11-4-2-10(3-5-11)15(17)18/h2-9,16H,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol?
(1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol has a molecular weight of 260.25 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol is sourced from PubChem (CID 83125211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).