(1R)-1-[6-(4-bromo-5-fluoro-2-nitrophenoxy)-3-pyridinyl]ethanol

C13H10BrFN2O4 — CID 103483375

IUPAC(1R)-1-[6-(4-bromo-5-fluoro-2-nitrophenoxy)-3-pyridinyl]ethanol
SMILESC[C@@H](O)c1ccc(Oc2cc(F)c(Br)cc2[N+](=O)[O-])nc1
InChIInChI=1S/C13H10BrFN2O4/c1-7(18)8-2-3-13(16-6-8)21-12-5-10(15)9(14)4-11(12)17(19)20/h2-7,18H,1H3/t7-/m1/s1
InChIKeyMINWWQFMJVHEOT-SSDOTTSWSA-N
MW357.14 g/mol
LogP3.74
Rot. Bonds4

About (1R)-1-[6-(4-bromo-5-fluoro-2-nitrophenoxy)-3-pyridinyl]ethanol

(1R)-1-[6-(4-bromo-5-fluoro-2-nitrophenoxy)-3-pyridinyl]ethanol (PubChem CID 103483375) has the molecular formula C13H10BrFN2O4 and a molecular weight of 357.14 g/mol. Its IUPAC name is (1R)-1-[6-(4-bromo-5-fluoro-2-nitrophenoxy)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[6-(4-bromo-5-fluoro-2-nitrophenoxy)-3-pyridinyl]ethanol
PubChem CID103483375
Molecular FormulaC13H10BrFN2O4
Molecular Weight357.14 g/mol
Exact Mass355.98
IUPAC Name(1R)-1-[6-(4-bromo-5-fluoro-2-nitrophenoxy)-3-pyridinyl]ethanol
SMILESC[C@@H](O)c1ccc(Oc2cc(F)c(Br)cc2[N+](=O)[O-])nc1
InChIInChI=1S/C13H10BrFN2O4/c1-7(18)8-2-3-13(16-6-8)21-12-5-10(15)9(14)4-11(12)17(19)20/h2-7,18H,1H3/t7-/m1/s1
InChIKeyMINWWQFMJVHEOT-SSDOTTSWSA-N
XLogP3.74
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.14
LogP ≤ 53.74
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

6-(4-bromo-5-fluoro-2-nitrophenoxy)-N-methylpyrimidin-4-amine
CID 103484542
1-[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanol
CID 107284929
(1S)-1-[6-(5-fluoro-2-methylphenoxy)-3-pyridinyl]ethanol
CID 102989853
6-(4-bromo-5-fluoro-2-nitrophenoxy)-N-ethylpyrimidin-4-amine
CID 103484581
1-[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]ethanol
CID 107659083
(1S)-1-[4-(4-bromo-2-nitrophenoxy)-3-fluorophenyl]ethanol
CID 65430184
2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanol
CID 103483928
[4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 103484708
1-[4-(4-bromo-5-fluoro-2-nitrophenoxy)phenyl]ethanone
CID 103483323
(1R)-1-[3-bromo-4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol
CID 104831905
(1R)-1-[6-(2-bromo-3-nitrophenoxy)-3-pyridinyl]ethanamine
CID 104867394
1-bromo-4-(4-bromo-3-methylphenoxy)-2-fluoro-5-nitrobenzene
CID 83140191

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[6-(4-bromo-5-fluoro-2-nitrophenoxy)-3-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[6-(4-bromo-5-fluoro-2-nitrophenoxy)-3-pyridinyl]ethanol (CID 103483375) is (1R)-1-[6-(4-bromo-5-fluoro-2-nitrophenoxy)-3-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[6-(4-bromo-5-fluoro-2-nitrophenoxy)-3-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[6-(4-bromo-5-fluoro-2-nitrophenoxy)-3-pyridinyl]ethanol is C[C@@H](O)c1ccc(Oc2cc(F)c(Br)cc2[N+](=O)[O-])nc1.
What is the InChIKey of (1R)-1-[6-(4-bromo-5-fluoro-2-nitrophenoxy)-3-pyridinyl]ethanol?
The InChIKey is MINWWQFMJVHEOT-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H10BrFN2O4/c1-7(18)8-2-3-13(16-6-8)21-12-5-10(15)9(14)4-11(12)17(19)20/h2-7,18H,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-[6-(4-bromo-5-fluoro-2-nitrophenoxy)-3-pyridinyl]ethanol?
(1R)-1-[6-(4-bromo-5-fluoro-2-nitrophenoxy)-3-pyridinyl]ethanol has a molecular weight of 357.14 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[6-(4-bromo-5-fluoro-2-nitrophenoxy)-3-pyridinyl]ethanol is sourced from PubChem (CID 103483375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).