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

C13H11FN2O4 — CID 83124972

IUPAC(1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]ethanol
SMILESC[C@@H](O)c1ccc(Oc2ccc(F)cc2[N+](=O)[O-])cn1
InChIInChI=1S/C13H11FN2O4/c1-8(17)11-4-3-10(7-15-11)20-13-5-2-9(14)6-12(13)16(18)19/h2-8,17H,1H3/t8-/m1/s1
InChIKeyKAONDWKDTBMSCG-MRVPVSSYSA-N
MW278.24 g/mol
LogP2.97
Rot. Bonds4

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

(1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]ethanol (PubChem CID 83124972) has the molecular formula C13H11FN2O4 and a molecular weight of 278.24 g/mol. Its IUPAC name is (1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]ethanol
PubChem CID83124972
Molecular FormulaC13H11FN2O4
Molecular Weight278.24 g/mol
Exact Mass278.07
IUPAC Name(1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]ethanol
SMILESC[C@@H](O)c1ccc(Oc2ccc(F)cc2[N+](=O)[O-])cn1
InChIInChI=1S/C13H11FN2O4/c1-8(17)11-4-3-10(7-15-11)20-13-5-2-9(14)6-12(13)16(18)19/h2-8,17H,1H3/t8-/m1/s1
InChIKeyKAONDWKDTBMSCG-MRVPVSSYSA-N
XLogP2.97
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 52.97
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-methyl-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124582
(1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]propan-1-amine
CID 103937946
(1S)-1-[5-(5-chloro-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124657
(1R)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125617
1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 102702826
1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol
CID 83125031
(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-methyl-2-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940567
(1R)-1-[5-(4-ethyl-2-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83111625
(1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125211
1-(4-fluoro-2-nitrophenoxy)propan-2-ol
CID 65277245

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]ethanol (CID 83124972) is (1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]ethanol is C[C@@H](O)c1ccc(Oc2ccc(F)cc2[N+](=O)[O-])cn1.
What is the InChIKey of (1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]ethanol?
The InChIKey is KAONDWKDTBMSCG-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H11FN2O4/c1-8(17)11-4-3-10(7-15-11)20-13-5-2-9(14)6-12(13)16(18)19/h2-8,17H,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]ethanol?
(1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]ethanol has a molecular weight of 278.24 g/mol, XLogP of 2.97, 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-fluoro-2-nitrophenoxy)-2-pyridinyl]ethanol is sourced from PubChem (CID 83124972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).