2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol

C13H8BrCl2F2NO — CID 106266541

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
SMILESOC(Cc1c(F)ccc(Br)c1F)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H8BrCl2F2NO/c14-8-1-2-10(17)7(12(8)18)4-11(20)13-9(16)3-6(15)5-19-13/h1-3,5,11,20H,4H2
InChIKeyCSFXNZJNPXOVFB-UHFFFAOYSA-N
MW383.02 g/mol
LogP4.71
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol

2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol (PubChem CID 106266541) has the molecular formula C13H8BrCl2F2NO and a molecular weight of 383.02 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
PubChem CID106266541
Molecular FormulaC13H8BrCl2F2NO
Molecular Weight383.02 g/mol
Exact Mass380.91
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
SMILESOC(Cc1c(F)ccc(Br)c1F)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H8BrCl2F2NO/c14-8-1-2-10(17)7(12(8)18)4-11(20)13-9(16)3-6(15)5-19-13/h1-3,5,11,20H,4H2
InChIKeyCSFXNZJNPXOVFB-UHFFFAOYSA-N
XLogP4.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.02
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol
CID 106265600
1-(3,5-dichloro-2-pyridinyl)-2-(3,4-difluorophenyl)ethanol
CID 82920233
1-(3-bromo-2,6-difluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
CID 106266420
2-(3-bromo-5-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 79786869
1-(3,5-dichloro-2-pyridinyl)-2-(2,4-difluorophenyl)ethanol
CID 79780281
2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 104800394
2-(5-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 79780520
2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol
CID 106265752
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanol
CID 106274383
1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 106266424
1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol
CID 106266378
2-(3-bromo-2,6-difluorophenyl)-1-(1H-imidazol-2-yl)ethanol
CID 106266549

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol (CID 106266541) is 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol is OC(Cc1c(F)ccc(Br)c1F)c1ncc(Cl)cc1Cl.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol?
The InChIKey is CSFXNZJNPXOVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2F2NO/c14-8-1-2-10(17)7(12(8)18)4-11(20)13-9(16)3-6(15)5-19-13/h1-3,5,11,20H,4H2.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol?
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol has a molecular weight of 383.02 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol is sourced from PubChem (CID 106266541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).