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

C14H14BrNO4 — CID 62001135

IUPAC[5-bromo-2-(3,5-dimethoxyphenoxy)-3-pyridinyl]methanol
SMILESCOc1cc(OC)cc(Oc2ncc(Br)cc2CO)c1
InChIInChI=1S/C14H14BrNO4/c1-18-11-4-12(19-2)6-13(5-11)20-14-9(8-17)3-10(15)7-16-14/h3-7,17H,8H2,1-2H3
InChIKeyBCZYLAMGHCZELK-UHFFFAOYSA-N
MW340.17 g/mol
LogP3.15
Rot. Bonds5

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

[5-bromo-2-(3,5-dimethoxyphenoxy)-3-pyridinyl]methanol (PubChem CID 62001135) has the molecular formula C14H14BrNO4 and a molecular weight of 340.17 g/mol. Its IUPAC name is [5-bromo-2-(3,5-dimethoxyphenoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(3,5-dimethoxyphenoxy)-3-pyridinyl]methanol
PubChem CID62001135
Molecular FormulaC14H14BrNO4
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC Name[5-bromo-2-(3,5-dimethoxyphenoxy)-3-pyridinyl]methanol
SMILESCOc1cc(OC)cc(Oc2ncc(Br)cc2CO)c1
InChIInChI=1S/C14H14BrNO4/c1-18-11-4-12(19-2)6-13(5-11)20-14-9(8-17)3-10(15)7-16-14/h3-7,17H,8H2,1-2H3
InChIKeyBCZYLAMGHCZELK-UHFFFAOYSA-N
XLogP3.15
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(3,5-dimethoxyphenoxy)-3-pyridinyl]methanol?
The IUPAC name of [5-bromo-2-(3,5-dimethoxyphenoxy)-3-pyridinyl]methanol (CID 62001135) is [5-bromo-2-(3,5-dimethoxyphenoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [5-bromo-2-(3,5-dimethoxyphenoxy)-3-pyridinyl]methanol?
The canonical SMILES for [5-bromo-2-(3,5-dimethoxyphenoxy)-3-pyridinyl]methanol is COc1cc(OC)cc(Oc2ncc(Br)cc2CO)c1.
What is the InChIKey of [5-bromo-2-(3,5-dimethoxyphenoxy)-3-pyridinyl]methanol?
The InChIKey is BCZYLAMGHCZELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO4/c1-18-11-4-12(19-2)6-13(5-11)20-14-9(8-17)3-10(15)7-16-14/h3-7,17H,8H2,1-2H3.
What are the key properties of [5-bromo-2-(3,5-dimethoxyphenoxy)-3-pyridinyl]methanol?
[5-bromo-2-(3,5-dimethoxyphenoxy)-3-pyridinyl]methanol has a molecular weight of 340.17 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(3,5-dimethoxyphenoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 62001135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).