[4-(2-bromophenoxy)-6-methyl-3-pyridinyl]methanol

C13H12BrNO2 — CID 81237020

IUPAC[4-(2-bromophenoxy)-6-methyl-3-pyridinyl]methanol
SMILESCc1cc(Oc2ccccc2Br)c(CO)cn1
InChIInChI=1S/C13H12BrNO2/c1-9-6-13(10(8-16)7-15-9)17-12-5-3-2-4-11(12)14/h2-7,16H,8H2,1H3
InChIKeyFUQFLNFVSHUIMX-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.44
Rot. Bonds3

About [4-(2-bromophenoxy)-6-methyl-3-pyridinyl]methanol

[4-(2-bromophenoxy)-6-methyl-3-pyridinyl]methanol (PubChem CID 81237020) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is [4-(2-bromophenoxy)-6-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(2-bromophenoxy)-6-methyl-3-pyridinyl]methanol
PubChem CID81237020
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name[4-(2-bromophenoxy)-6-methyl-3-pyridinyl]methanol
SMILESCc1cc(Oc2ccccc2Br)c(CO)cn1
InChIInChI=1S/C13H12BrNO2/c1-9-6-13(10(8-16)7-15-9)17-12-5-3-2-4-11(12)14/h2-7,16H,8H2,1H3
InChIKeyFUQFLNFVSHUIMX-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

[4-(5-bromo-2-methylphenoxy)-6-methyl-3-pyridinyl]methanol
CID 107285369
[6-methyl-4-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanol
CID 81238111
[4-(4-iodophenoxy)-6-methyl-3-pyridinyl]methanol
CID 81237579
[2-(2-bromophenoxy)-3-pyridinyl]methanol
CID 61256696
[6-methyl-4-(4-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 81238941
N-[[4-(2-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81254110
5-(chloromethyl)-4-(2-chlorophenoxy)-2-methylpyridine
CID 81233947
[6-methyl-4-(3-methyl-4-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 81238278
1-bromo-2-(2-bromophenoxy)benzene
CID 3465096
1-[4-(2-fluorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81250425
5-(chloromethyl)-2-methyl-4-(2-propan-2-ylphenoxy)pyridine
CID 81234196
[4-(2,5-dibromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine
CID 81251048

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromophenoxy)-6-methyl-3-pyridinyl]methanol?
The IUPAC name of [4-(2-bromophenoxy)-6-methyl-3-pyridinyl]methanol (CID 81237020) is [4-(2-bromophenoxy)-6-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [4-(2-bromophenoxy)-6-methyl-3-pyridinyl]methanol?
The canonical SMILES for [4-(2-bromophenoxy)-6-methyl-3-pyridinyl]methanol is Cc1cc(Oc2ccccc2Br)c(CO)cn1.
What is the InChIKey of [4-(2-bromophenoxy)-6-methyl-3-pyridinyl]methanol?
The InChIKey is FUQFLNFVSHUIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-9-6-13(10(8-16)7-15-9)17-12-5-3-2-4-11(12)14/h2-7,16H,8H2,1H3.
What are the key properties of [4-(2-bromophenoxy)-6-methyl-3-pyridinyl]methanol?
[4-(2-bromophenoxy)-6-methyl-3-pyridinyl]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 [4-(2-bromophenoxy)-6-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 81237020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).