1-[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]ethanol

C13H10BrCl2NO2 — CID 107659083

IUPAC1-[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]ethanol
SMILESCC(O)c1ccc(Oc2cc(Cl)c(Br)cc2Cl)nc1
InChIInChI=1S/C13H10BrCl2NO2/c1-7(18)8-2-3-13(17-6-8)19-12-5-10(15)9(14)4-11(12)16/h2-7,18H,1H3
InChIKeyBKVZPIRBDPICJA-UHFFFAOYSA-N
MW363.04 g/mol
LogP5.00
Rot. Bonds3

About 1-[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]ethanol

1-[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]ethanol (PubChem CID 107659083) has the molecular formula C13H10BrCl2NO2 and a molecular weight of 363.04 g/mol. Its IUPAC name is 1-[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]ethanol
PubChem CID107659083
Molecular FormulaC13H10BrCl2NO2
Molecular Weight363.04 g/mol
Exact Mass360.93
IUPAC Name1-[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]ethanol
SMILESCC(O)c1ccc(Oc2cc(Cl)c(Br)cc2Cl)nc1
InChIInChI=1S/C13H10BrCl2NO2/c1-7(18)8-2-3-13(17-6-8)19-12-5-10(15)9(14)4-11(12)16/h2-7,18H,1H3
InChIKeyBKVZPIRBDPICJA-UHFFFAOYSA-N
XLogP5.00
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.04
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[3-bromo-4-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol
CID 107659040
[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methanol
CID 107659076
1-[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanol
CID 107284929
(1S)-1-[6-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]ethanol
CID 107724994
1-[6-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]ethanol
CID 107724992
1-[2-(4-bromo-2,5-dichlorophenoxy)-4-pyridinyl]ethanamine
CID 107658732
(1R)-1-[6-(4-bromo-5-fluoro-2-nitrophenoxy)-3-pyridinyl]ethanol
CID 103483375
(1S)-1-[6-(5-fluoro-2-methylphenoxy)-3-pyridinyl]ethanol
CID 102989853
2-(4-bromo-2,5-dichlorophenoxy)-5-methylpyridin-4-amine
CID 107655311
1-[4-bromo-2-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol
CID 107659061
(1R)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol
CID 107659058
(1S)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol
CID 107659074

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]ethanol?
The IUPAC name of 1-[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]ethanol (CID 107659083) is 1-[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]ethanol.
What is the SMILES notation for 1-[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]ethanol?
The canonical SMILES for 1-[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]ethanol is CC(O)c1ccc(Oc2cc(Cl)c(Br)cc2Cl)nc1.
What is the InChIKey of 1-[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]ethanol?
The InChIKey is BKVZPIRBDPICJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO2/c1-7(18)8-2-3-13(17-6-8)19-12-5-10(15)9(14)4-11(12)16/h2-7,18H,1H3.
What are the key properties of 1-[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]ethanol?
1-[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]ethanol has a molecular weight of 363.04 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]ethanol is sourced from PubChem (CID 107659083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).