[5-bromo-2-(2,5-dimethylphenoxy)-3-pyridinyl]methanol

C14H14BrNO2 — CID 62001329

IUPAC[5-bromo-2-(2,5-dimethylphenoxy)-3-pyridinyl]methanol
SMILESCc1ccc(C)c(Oc2ncc(Br)cc2CO)c1
InChIInChI=1S/C14H14BrNO2/c1-9-3-4-10(2)13(5-9)18-14-11(8-17)6-12(15)7-16-14/h3-7,17H,8H2,1-2H3
InChIKeyCCCULFMTSQIFIM-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.75
Rot. Bonds3

About [5-bromo-2-(2,5-dimethylphenoxy)-3-pyridinyl]methanol

[5-bromo-2-(2,5-dimethylphenoxy)-3-pyridinyl]methanol (PubChem CID 62001329) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is [5-bromo-2-(2,5-dimethylphenoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(2,5-dimethylphenoxy)-3-pyridinyl]methanol
PubChem CID62001329
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name[5-bromo-2-(2,5-dimethylphenoxy)-3-pyridinyl]methanol
SMILESCc1ccc(C)c(Oc2ncc(Br)cc2CO)c1
InChIInChI=1S/C14H14BrNO2/c1-9-3-4-10(2)13(5-9)18-14-11(8-17)6-12(15)7-16-14/h3-7,17H,8H2,1-2H3
InChIKeyCCCULFMTSQIFIM-UHFFFAOYSA-N
XLogP3.75
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-(chloromethyl)-2-(2,4-dimethylphenoxy)pyridine
CID 63446322
5-bromo-3-(chloromethyl)-2-(2-chloro-5-methylphenoxy)pyridine
CID 63447244
[5-bromo-2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine
CID 64854885
N-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62672744
[5-bromo-2-(3,5-dimethoxyphenoxy)-3-pyridinyl]methanol
CID 62001135
5-bromo-2-(2-tert-butyl-5-methylphenoxy)-3-(chloromethyl)pyridine
CID 63446360
5-bromo-3-chloro-2-(2-chloro-4-methylphenoxy)pyridine
CID 103583695
[4-(5-bromo-2-methylphenoxy)-6-methyl-3-pyridinyl]methanol
CID 107285369
N-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 107285712
[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine
CID 55058835
6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80632032
2-[(5-bromo-3-chloro-2-pyridinyl)oxy]-5-methylaniline
CID 103582678

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(2,5-dimethylphenoxy)-3-pyridinyl]methanol?
The IUPAC name of [5-bromo-2-(2,5-dimethylphenoxy)-3-pyridinyl]methanol (CID 62001329) is [5-bromo-2-(2,5-dimethylphenoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [5-bromo-2-(2,5-dimethylphenoxy)-3-pyridinyl]methanol?
The canonical SMILES for [5-bromo-2-(2,5-dimethylphenoxy)-3-pyridinyl]methanol is Cc1ccc(C)c(Oc2ncc(Br)cc2CO)c1.
What is the InChIKey of [5-bromo-2-(2,5-dimethylphenoxy)-3-pyridinyl]methanol?
The InChIKey is CCCULFMTSQIFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-9-3-4-10(2)13(5-9)18-14-11(8-17)6-12(15)7-16-14/h3-7,17H,8H2,1-2H3.
What are the key properties of [5-bromo-2-(2,5-dimethylphenoxy)-3-pyridinyl]methanol?
[5-bromo-2-(2,5-dimethylphenoxy)-3-pyridinyl]methanol has a molecular weight of 308.18 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(2,5-dimethylphenoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 62001329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).