[3-[(5-bromo-4-methyl-2-pyridinyl)oxy]phenyl]methanol

C13H12BrNO2 — CID 114869670

IUPAC[3-[(5-bromo-4-methyl-2-pyridinyl)oxy]phenyl]methanol
SMILESCc1cc(Oc2cccc(CO)c2)ncc1Br
InChIInChI=1S/C13H12BrNO2/c1-9-5-13(15-7-12(9)14)17-11-4-2-3-10(6-11)8-16/h2-7,16H,8H2,1H3
InChIKeyAGZYBMQCUIIRJF-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.44
Rot. Bonds3

About [3-[(5-bromo-4-methyl-2-pyridinyl)oxy]phenyl]methanol

[3-[(5-bromo-4-methyl-2-pyridinyl)oxy]phenyl]methanol (PubChem CID 114869670) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is [3-[(5-bromo-4-methyl-2-pyridinyl)oxy]phenyl]methanol.

Molecular Properties

Compound Name[3-[(5-bromo-4-methyl-2-pyridinyl)oxy]phenyl]methanol
PubChem CID114869670
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name[3-[(5-bromo-4-methyl-2-pyridinyl)oxy]phenyl]methanol
SMILESCc1cc(Oc2cccc(CO)c2)ncc1Br
InChIInChI=1S/C13H12BrNO2/c1-9-5-13(15-7-12(9)14)17-11-4-2-3-10(6-11)8-16/h2-7,16H,8H2,1H3
InChIKeyAGZYBMQCUIIRJF-UHFFFAOYSA-N
XLogP3.44
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-methyl-2-(4-methylphenoxy)pyridine
CID 114870650
[6-(3-bromophenoxy)-3-pyridinyl]methanol
CID 61255243
[6-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methanol
CID 63986464
[3-(6-aminopyrimidin-4-yl)oxyphenyl]methanol
CID 80873838
[3-(6-fluoropyrimidin-4-yl)oxyphenyl]methanol
CID 115416170
6-[3-(hydroxymethyl)phenoxy]-5-methylpyridine-3-carbaldehyde
CID 80631507
[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanol
CID 79869651
[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]methanol
CID 79869654
[3-(6-hydrazinylpyrimidin-4-yl)oxyphenyl]methanol
CID 80931261
[3-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]methanol
CID 83184825
4-methyl-6-(3-methylphenoxy)pyridin-3-amine
CID 79020882
5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine
CID 114869079

Frequently Asked Questions

What is the IUPAC name of [3-[(5-bromo-4-methyl-2-pyridinyl)oxy]phenyl]methanol?
The IUPAC name of [3-[(5-bromo-4-methyl-2-pyridinyl)oxy]phenyl]methanol (CID 114869670) is [3-[(5-bromo-4-methyl-2-pyridinyl)oxy]phenyl]methanol.
What is the SMILES notation for [3-[(5-bromo-4-methyl-2-pyridinyl)oxy]phenyl]methanol?
The canonical SMILES for [3-[(5-bromo-4-methyl-2-pyridinyl)oxy]phenyl]methanol is Cc1cc(Oc2cccc(CO)c2)ncc1Br.
What is the InChIKey of [3-[(5-bromo-4-methyl-2-pyridinyl)oxy]phenyl]methanol?
The InChIKey is AGZYBMQCUIIRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-9-5-13(15-7-12(9)14)17-11-4-2-3-10(6-11)8-16/h2-7,16H,8H2,1H3.
What are the key properties of [3-[(5-bromo-4-methyl-2-pyridinyl)oxy]phenyl]methanol?
[3-[(5-bromo-4-methyl-2-pyridinyl)oxy]phenyl]methanol has a molecular weight of 294.15 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-bromo-4-methyl-2-pyridinyl)oxy]phenyl]methanol is sourced from PubChem (CID 114869670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).