[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol

C14H14BrNO3 — CID 666571

IUPAC[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol
SMILESCOc1cc(CO)cc(Br)c1OCc1cccnc1
InChIInChI=1S/C14H14BrNO3/c1-18-13-6-11(8-17)5-12(15)14(13)19-9-10-3-2-4-16-7-10/h2-7,17H,8-9H2,1H3
InChIKeyJOONJVGSQLVVGH-UHFFFAOYSA-N
MW324.17 g/mol
LogP2.92
Rot. Bonds5

About [3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol

[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol (PubChem CID 666571) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is [3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol
PubChem CID666571
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol
SMILESCOc1cc(CO)cc(Br)c1OCc1cccnc1
InChIInChI=1S/C14H14BrNO3/c1-18-13-6-11(8-17)5-12(15)14(13)19-9-10-3-2-4-16-7-10/h2-7,17H,8-9H2,1H3
InChIKeyJOONJVGSQLVVGH-UHFFFAOYSA-N
XLogP2.92
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

{4-[(6-Chloropyridin-3-yl)methoxy]-3-methoxyphenyl}methanol
CID 1941971
4-[(Z)-2-[5-bromo-6-(2-hydroxyethoxy)-3-pyridinyl]ethenyl]phenol
CID 46905980
{3-Bromo-4-[(2-fluorobenzyl)oxy]-5-methoxybenzyl}(4-pyridinylmethyl)amine hydrochloride
CID 2966759
{3-Bromo-5-ethoxy-4-[(4-fluorobenzyl)oxy]benzyl}(4-pyridinylmethyl)amine hydrochloride
CID 2967712
N-{3-bromo-5-ethoxy-4-[(2-fluorobenzyl)oxy]benzyl}-N-(4-pyridinylmethyl)amine
CID 11957120
5-Bromo-2-((4-methoxybenzyl)oxy)pyridine
CID 26967066
3-Bromo-5-methoxy-4-(pyridin-4-ylmethoxy)benzoic acid
CID 16228536
3-[3-(2-Bromo-4-isopropylphenoxy)propyl]pyridine
CID 642852
8-Bromo-6,7-dimethoxyisoquinoline
CID 15570004
2-[2-Bromo-6-ethoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide
CID 979578
N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 979734
N-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 979736

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol?
The IUPAC name of [3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol (CID 666571) is [3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol?
The canonical SMILES for [3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol is COc1cc(CO)cc(Br)c1OCc1cccnc1.
What is the InChIKey of [3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol?
The InChIKey is JOONJVGSQLVVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-18-13-6-11(8-17)5-12(15)14(13)19-9-10-3-2-4-16-7-10/h2-7,17H,8-9H2,1H3.
What are the key properties of [3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol?
[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol has a molecular weight of 324.17 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 666571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).