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

C14H14BrNO3 — CID 107743821

IUPAC[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1Oc1ncc(Br)cc1C
InChIInChI=1S/C14H14BrNO3/c1-9-5-11(15)7-16-14(9)19-12-4-3-10(8-17)6-13(12)18-2/h3-7,17H,8H2,1-2H3
InChIKeyXJORRWUXGJQSQP-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.45
Rot. Bonds4

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

[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]-3-methoxyphenyl]methanol (PubChem CID 107743821) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is [4-[(5-bromo-3-methyl-2-pyridinyl)oxy]-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]-3-methoxyphenyl]methanol
PubChem CID107743821
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1Oc1ncc(Br)cc1C
InChIInChI=1S/C14H14BrNO3/c1-9-5-11(15)7-16-14(9)19-12-4-3-10(8-17)6-13(12)18-2/h3-7,17H,8H2,1-2H3
InChIKeyXJORRWUXGJQSQP-UHFFFAOYSA-N
XLogP3.45
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107709601
[4-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107745258
[4-(5,6-dimethylpyrazin-2-yl)oxy-3-methoxyphenyl]methanol
CID 107744072
[4-[3-(aminomethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol
CID 107742464
[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80629216
5-bromo-2-(4-ethyl-2-methoxyphenoxy)-3-nitropyridine
CID 107667629
(3-methoxy-4-pyridin-2-yloxyphenyl)methanol
CID 103610323
5-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpyridin-2-amine
CID 133373882
1-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2-pyridinyl]ethanol
CID 107743552
[4-(6-amino-5-ethylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107745155
5-bromo-2-(4-bromophenoxy)-3-methylpyridine
CID 79713445
(3-methoxy-4-phosphanyloxyphenyl)methanol
CID 89023367

Frequently Asked Questions

What is the IUPAC name of [4-[(5-bromo-3-methyl-2-pyridinyl)oxy]-3-methoxyphenyl]methanol?
The IUPAC name of [4-[(5-bromo-3-methyl-2-pyridinyl)oxy]-3-methoxyphenyl]methanol (CID 107743821) is [4-[(5-bromo-3-methyl-2-pyridinyl)oxy]-3-methoxyphenyl]methanol.
What is the SMILES notation for [4-[(5-bromo-3-methyl-2-pyridinyl)oxy]-3-methoxyphenyl]methanol?
The canonical SMILES for [4-[(5-bromo-3-methyl-2-pyridinyl)oxy]-3-methoxyphenyl]methanol is COc1cc(CO)ccc1Oc1ncc(Br)cc1C.
What is the InChIKey of [4-[(5-bromo-3-methyl-2-pyridinyl)oxy]-3-methoxyphenyl]methanol?
The InChIKey is XJORRWUXGJQSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-9-5-11(15)7-16-14(9)19-12-4-3-10(8-17)6-13(12)18-2/h3-7,17H,8H2,1-2H3.
What are the key properties of [4-[(5-bromo-3-methyl-2-pyridinyl)oxy]-3-methoxyphenyl]methanol?
[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]-3-methoxyphenyl]methanol has a molecular weight of 324.17 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-bromo-3-methyl-2-pyridinyl)oxy]-3-methoxyphenyl]methanol is sourced from PubChem (CID 107743821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).