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

C13H11ClN2O4 — CID 83125212

IUPAC1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol
SMILESCC(O)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cn1
InChIInChI=1S/C13H11ClN2O4/c1-8(17)12-4-3-10(7-15-12)20-13-5-2-9(16(18)19)6-11(13)14/h2-8,17H,1H3
InChIKeyRAIWXJODSRXENC-UHFFFAOYSA-N
MW294.69 g/mol
LogP3.49
Rot. Bonds4

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

1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol (PubChem CID 83125212) has the molecular formula C13H11ClN2O4 and a molecular weight of 294.69 g/mol. Its IUPAC name is 1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol
PubChem CID83125212
Molecular FormulaC13H11ClN2O4
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol
SMILESCC(O)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cn1
InChIInChI=1S/C13H11ClN2O4/c1-8(17)12-4-3-10(7-15-12)20-13-5-2-9(16(18)19)6-11(13)14/h2-8,17H,1H3
InChIKeyRAIWXJODSRXENC-UHFFFAOYSA-N
XLogP3.49
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 53.49
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

(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83109459
(1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125211
(1S)-1-[5-(5-chloro-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124657
1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124582
1-[5-(2-chloro-5-nitrophenoxy)-2-pyridinyl]-N-methylethanamine
CID 83111430
(1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124972
2-[4-(2-chloro-4-nitrophenoxy)phenoxy]propanoic acid
CID 70626116
1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 102702826
(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83109960
2-chloro-1-(4-methylphenoxy)-4-nitrobenzene
CID 2210667
(1R)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125617
(1R)-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83124262

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol?
The IUPAC name of 1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol (CID 83125212) is 1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol?
The canonical SMILES for 1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol is CC(O)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cn1.
What is the InChIKey of 1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol?
The InChIKey is RAIWXJODSRXENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4/c1-8(17)12-4-3-10(7-15-12)20-13-5-2-9(16(18)19)6-11(13)14/h2-8,17H,1H3.
What are the key properties of 1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol?
1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol has a molecular weight of 294.69 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol is sourced from PubChem (CID 83125212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).