[2-(2-bromo-4-fluorophenoxy)-4-pyridinyl]methanol

C12H9BrFNO2 — CID 61255659

IUPAC[2-(2-bromo-4-fluorophenoxy)-4-pyridinyl]methanol
SMILESOCc1ccnc(Oc2ccc(F)cc2Br)c1
InChIInChI=1S/C12H9BrFNO2/c13-10-6-9(14)1-2-11(10)17-12-5-8(7-16)3-4-15-12/h1-6,16H,7H2
InChIKeyWDIFQTYFEWZKNI-UHFFFAOYSA-N
MW298.11 g/mol
LogP3.27
Rot. Bonds3

About [2-(2-bromo-4-fluorophenoxy)-4-pyridinyl]methanol

[2-(2-bromo-4-fluorophenoxy)-4-pyridinyl]methanol (PubChem CID 61255659) has the molecular formula C12H9BrFNO2 and a molecular weight of 298.11 g/mol. Its IUPAC name is [2-(2-bromo-4-fluorophenoxy)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(2-bromo-4-fluorophenoxy)-4-pyridinyl]methanol
PubChem CID61255659
Molecular FormulaC12H9BrFNO2
Molecular Weight298.11 g/mol
Exact Mass296.98
IUPAC Name[2-(2-bromo-4-fluorophenoxy)-4-pyridinyl]methanol
SMILESOCc1ccnc(Oc2ccc(F)cc2Br)c1
InChIInChI=1S/C12H9BrFNO2/c13-10-6-9(14)1-2-11(10)17-12-5-8(7-16)3-4-15-12/h1-6,16H,7H2
InChIKeyWDIFQTYFEWZKNI-UHFFFAOYSA-N
XLogP3.27
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.11
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-fluorophenoxy)-4-pyridinyl]methanol
CID 61257536
[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
CID 116689765
[2-(2-chlorophenoxy)-4-pyridinyl]methanol
CID 61256084
[2-(2,4-dichlorophenoxy)-4-pyridinyl]methanol
CID 61256718
4-(chloromethyl)-2-(2,4-difluorophenoxy)pyridine
CID 61267682
4-(2-bromo-4-fluorophenoxy)-2-methylpyrimidine
CID 62785834
[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80629216
[2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol
CID 43313412
5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine
CID 114869079
N-[[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 104708297
N-[[2-(2,5-difluorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 63272898
4-[(2-bromo-4-fluorophenoxy)methyl]pyridine-2-carbothioamide
CID 63881141

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-fluorophenoxy)-4-pyridinyl]methanol?
The IUPAC name of [2-(2-bromo-4-fluorophenoxy)-4-pyridinyl]methanol (CID 61255659) is [2-(2-bromo-4-fluorophenoxy)-4-pyridinyl]methanol.
What is the SMILES notation for [2-(2-bromo-4-fluorophenoxy)-4-pyridinyl]methanol?
The canonical SMILES for [2-(2-bromo-4-fluorophenoxy)-4-pyridinyl]methanol is OCc1ccnc(Oc2ccc(F)cc2Br)c1.
What is the InChIKey of [2-(2-bromo-4-fluorophenoxy)-4-pyridinyl]methanol?
The InChIKey is WDIFQTYFEWZKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO2/c13-10-6-9(14)1-2-11(10)17-12-5-8(7-16)3-4-15-12/h1-6,16H,7H2.
What are the key properties of [2-(2-bromo-4-fluorophenoxy)-4-pyridinyl]methanol?
[2-(2-bromo-4-fluorophenoxy)-4-pyridinyl]methanol has a molecular weight of 298.11 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-4-fluorophenoxy)-4-pyridinyl]methanol is sourced from PubChem (CID 61255659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).