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

C13H10BrF2NO — CID 114931671

IUPAC1-(3-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)ethanol
SMILESOC(Cc1c(F)cccc1F)c1ncccc1Br
InChIInChI=1S/C13H10BrF2NO/c14-9-3-2-6-17-13(9)12(18)7-8-10(15)4-1-5-11(8)16/h1-6,12,18H,7H2
InChIKeyFRERCLOQQADCMJ-UHFFFAOYSA-N
MW314.13 g/mol
LogP3.40
Rot. Bonds3

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

1-(3-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)ethanol (PubChem CID 114931671) has the molecular formula C13H10BrF2NO and a molecular weight of 314.13 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)ethanol
PubChem CID114931671
Molecular FormulaC13H10BrF2NO
Molecular Weight314.13 g/mol
Exact Mass312.99
IUPAC Name1-(3-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)ethanol
SMILESOC(Cc1c(F)cccc1F)c1ncccc1Br
InChIInChI=1S/C13H10BrF2NO/c14-9-3-2-6-17-13(9)12(18)7-8-10(15)4-1-5-11(8)16/h1-6,12,18H,7H2
InChIKeyFRERCLOQQADCMJ-UHFFFAOYSA-N
XLogP3.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-pyridinyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 113398316
2-(2,6-difluorophenyl)-1-pyrimidin-2-ylethanol
CID 114552917
1-(3-bromo-2-pyridinyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103039701
[2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-pyridinyl)ethyl]hydrazine
CID 106271188
1-(2-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 114931497
2-(2-chloro-3-fluorophenyl)-1-(3-fluoro-2-pyridinyl)ethanol
CID 112653523
1-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114561348
(1R)-1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol
CID 99981108
1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol
CID 102567815
3-bromo-2-(difluoromethyl)pyridine
CID 54758836
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol
CID 106265600
3-amino-1-(3-fluoro-2-pyridinyl)propan-1-ol
CID 84653760

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)ethanol?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)ethanol (CID 114931671) is 1-(3-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)ethanol?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)ethanol is OC(Cc1c(F)cccc1F)c1ncccc1Br.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)ethanol?
The InChIKey is FRERCLOQQADCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO/c14-9-3-2-6-17-13(9)12(18)7-8-10(15)4-1-5-11(8)16/h1-6,12,18H,7H2.
What are the key properties of 1-(3-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)ethanol?
1-(3-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)ethanol has a molecular weight of 314.13 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)ethanol is sourced from PubChem (CID 114931671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).