1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol

C14H14N2O5 — CID 102702826

IUPAC1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol
SMILESCOc1ccc([N+](=O)[O-])c(Oc2ccc(C(C)O)nc2)c1
InChIInChI=1S/C14H14N2O5/c1-9(17)12-5-3-11(8-15-12)21-14-7-10(20-2)4-6-13(14)16(18)19/h3-9,17H,1-2H3
InChIKeyBZOPVYOCQVJVHB-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.84
Rot. Bonds5

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

1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol (PubChem CID 102702826) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is 1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol
PubChem CID102702826
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol
SMILESCOc1ccc([N+](=O)[O-])c(Oc2ccc(C(C)O)nc2)c1
InChIInChI=1S/C14H14N2O5/c1-9(17)12-5-3-11(8-15-12)21-14-7-10(20-2)4-6-13(14)16(18)19/h3-9,17H,1-2H3
InChIKeyBZOPVYOCQVJVHB-UHFFFAOYSA-N
XLogP2.84
TPSA94.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
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'}

Analyze 1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[5-(5-chloro-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124657
1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124582
(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83109459
(1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124972
(1R)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125617
5-(5-methoxy-2-nitrophenoxy)pyridine-2-carboximidamide
CID 102702745
(1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125211
1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125212
(1S)-1-[5-(2-methoxyphenoxy)-2-pyridinyl]ethanol
CID 83124880
1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940567
4-(5-methoxy-2-nitrophenoxy)pyridin-2-amine
CID 102703861
(1R)-1-[5-(4,5-dichloro-2-nitrophenoxy)-2-pyridinyl]ethanamine
CID 107500145

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol?
The IUPAC name of 1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol (CID 102702826) is 1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol?
The canonical SMILES for 1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol is COc1ccc([N+](=O)[O-])c(Oc2ccc(C(C)O)nc2)c1.
What is the InChIKey of 1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol?
The InChIKey is BZOPVYOCQVJVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-9(17)12-5-3-11(8-15-12)21-14-7-10(20-2)4-6-13(14)16(18)19/h3-9,17H,1-2H3.
What are the key properties of 1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol?
1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol has a molecular weight of 290.28 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol is sourced from PubChem (CID 102702826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).