[2-(2-bromo-5-fluorophenoxy)-5-fluoro-3-pyridinyl]methanol

C12H8BrF2NO2 — CID 114034713

IUPAC[2-(2-bromo-5-fluorophenoxy)-5-fluoro-3-pyridinyl]methanol
SMILESOCc1cc(F)cnc1Oc1cc(F)ccc1Br
InChIInChI=1S/C12H8BrF2NO2/c13-10-2-1-8(14)4-11(10)18-12-7(6-17)3-9(15)5-16-12/h1-5,17H,6H2
InChIKeyAOGKGXSNFWVNFM-UHFFFAOYSA-N
MW316.10 g/mol
LogP3.41
Rot. Bonds3

About [2-(2-bromo-5-fluorophenoxy)-5-fluoro-3-pyridinyl]methanol

[2-(2-bromo-5-fluorophenoxy)-5-fluoro-3-pyridinyl]methanol (PubChem CID 114034713) has the molecular formula C12H8BrF2NO2 and a molecular weight of 316.10 g/mol. Its IUPAC name is [2-(2-bromo-5-fluorophenoxy)-5-fluoro-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(2-bromo-5-fluorophenoxy)-5-fluoro-3-pyridinyl]methanol
PubChem CID114034713
Molecular FormulaC12H8BrF2NO2
Molecular Weight316.10 g/mol
Exact Mass314.97
IUPAC Name[2-(2-bromo-5-fluorophenoxy)-5-fluoro-3-pyridinyl]methanol
SMILESOCc1cc(F)cnc1Oc1cc(F)ccc1Br
InChIInChI=1S/C12H8BrF2NO2/c13-10-2-1-8(14)4-11(10)18-12-7(6-17)3-9(15)5-16-12/h1-5,17H,6H2
InChIKeyAOGKGXSNFWVNFM-UHFFFAOYSA-N
XLogP3.41
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.10
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80629216
[2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol
CID 43313412
4-(2-bromo-5-fluorophenoxy)pyrimidine-5-carbothioamide
CID 112755595
[2-(2-bromo-5-nitrophenoxy)-5-fluorophenyl]methanol
CID 103010830
(8-bromo-3-fluoroquinolin-5-yl)methanol
CID 146567212
5-bromo-6-(2-bromo-5-fluorophenoxy)pyrimidin-4-amine
CID 114073540
2-(2-bromo-5-fluorophenoxy)-5-nitropyridine-3-carboxylic acid
CID 104629517
[2-(2-bromophenoxy)-3-pyridinyl]methanol
CID 61256696
[2-(2,4-difluorophenoxy)-3-pyridinyl]methanol
CID 61256286
4-(2-bromo-5-fluorophenoxy)-2-chloro-5-methylpyridine
CID 83267100
1-[5-bromo-2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058401
(2-bromo-5-fluorophenyl)methanol;[4-fluoro-2-(hydroxymethyl)phenyl]boronic acid
CID 161123458

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-5-fluorophenoxy)-5-fluoro-3-pyridinyl]methanol?
The IUPAC name of [2-(2-bromo-5-fluorophenoxy)-5-fluoro-3-pyridinyl]methanol (CID 114034713) is [2-(2-bromo-5-fluorophenoxy)-5-fluoro-3-pyridinyl]methanol.
What is the SMILES notation for [2-(2-bromo-5-fluorophenoxy)-5-fluoro-3-pyridinyl]methanol?
The canonical SMILES for [2-(2-bromo-5-fluorophenoxy)-5-fluoro-3-pyridinyl]methanol is OCc1cc(F)cnc1Oc1cc(F)ccc1Br.
What is the InChIKey of [2-(2-bromo-5-fluorophenoxy)-5-fluoro-3-pyridinyl]methanol?
The InChIKey is AOGKGXSNFWVNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO2/c13-10-2-1-8(14)4-11(10)18-12-7(6-17)3-9(15)5-16-12/h1-5,17H,6H2.
What are the key properties of [2-(2-bromo-5-fluorophenoxy)-5-fluoro-3-pyridinyl]methanol?
[2-(2-bromo-5-fluorophenoxy)-5-fluoro-3-pyridinyl]methanol has a molecular weight of 316.10 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-5-fluorophenoxy)-5-fluoro-3-pyridinyl]methanol is sourced from PubChem (CID 114034713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).