(1S)-1-[5-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]ethanol

C13H10BrF2NO2 — CID 107100177

IUPAC(1S)-1-[5-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]ethanol
SMILESC[C@H](O)c1ccc(Oc2cc(Br)cc(F)c2F)cn1
InChIInChI=1S/C13H10BrF2NO2/c1-7(18)11-3-2-9(6-17-11)19-12-5-8(14)4-10(15)13(12)16/h2-7,18H,1H3/t7-/m0/s1
InChIKeyZDHURJDDDBWDDV-ZETCQYMHSA-N
MW330.13 g/mol
LogP3.97
Rot. Bonds3

About (1S)-1-[5-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]ethanol

(1S)-1-[5-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]ethanol (PubChem CID 107100177) has the molecular formula C13H10BrF2NO2 and a molecular weight of 330.13 g/mol. Its IUPAC name is (1S)-1-[5-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]ethanol
PubChem CID107100177
Molecular FormulaC13H10BrF2NO2
Molecular Weight330.13 g/mol
Exact Mass328.99
IUPAC Name(1S)-1-[5-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]ethanol
SMILESC[C@H](O)c1ccc(Oc2cc(Br)cc(F)c2F)cn1
InChIInChI=1S/C13H10BrF2NO2/c1-7(18)11-3-2-9(6-17-11)19-12-5-8(14)4-10(15)13(12)16/h2-7,18H,1H3/t7-/m0/s1
InChIKeyZDHURJDDDBWDDV-ZETCQYMHSA-N
XLogP3.97
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 53.97
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

1-[4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol
CID 107100098
1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]ethanol
CID 107284882
1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol
CID 83125690
1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol
CID 83125031
5-(5-bromo-2,3-difluorophenoxy)pyridine-2-carbothioamide
CID 107098345
(1R)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanamine
CID 83123834
3-fluoro-4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]benzonitrile
CID 107666140
1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]ethanol
CID 83125125
(1S)-1-[5-(2,4-dimethylphenoxy)-2-pyridinyl]ethanol
CID 83125032
(1S)-1-[5-(2-methoxyphenoxy)-2-pyridinyl]ethanol
CID 83124880
(1R)-1-[3-bromo-4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol
CID 107100123
4-(5-bromo-2,3-difluorophenoxy)-2-methylpyridine
CID 107099516

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[5-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]ethanol (CID 107100177) is (1S)-1-[5-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[5-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[5-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]ethanol is C[C@H](O)c1ccc(Oc2cc(Br)cc(F)c2F)cn1.
What is the InChIKey of (1S)-1-[5-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]ethanol?
The InChIKey is ZDHURJDDDBWDDV-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H10BrF2NO2/c1-7(18)11-3-2-9(6-17-11)19-12-5-8(14)4-10(15)13(12)16/h2-7,18H,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-[5-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]ethanol?
(1S)-1-[5-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]ethanol has a molecular weight of 330.13 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]ethanol is sourced from PubChem (CID 107100177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).