[5-[(3-bromophenyl)methoxy]-2-pyridinyl]methanol

C13H12BrNO2 — CID 79793730

IUPAC[5-[(3-bromophenyl)methoxy]-2-pyridinyl]methanol
SMILESOCc1ccc(OCc2cccc(Br)c2)cn1
InChIInChI=1S/C13H12BrNO2/c14-11-3-1-2-10(6-11)9-17-13-5-4-12(8-16)15-7-13/h1-7,16H,8-9H2
InChIKeySYEGWBJXJLSUGL-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.92
Rot. Bonds4

About [5-[(3-bromophenyl)methoxy]-2-pyridinyl]methanol

[5-[(3-bromophenyl)methoxy]-2-pyridinyl]methanol (PubChem CID 79793730) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is [5-[(3-bromophenyl)methoxy]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[(3-bromophenyl)methoxy]-2-pyridinyl]methanol
PubChem CID79793730
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name[5-[(3-bromophenyl)methoxy]-2-pyridinyl]methanol
SMILESOCc1ccc(OCc2cccc(Br)c2)cn1
InChIInChI=1S/C13H12BrNO2/c14-11-3-1-2-10(6-11)9-17-13-5-4-12(8-16)15-7-13/h1-7,16H,8-9H2
InChIKeySYEGWBJXJLSUGL-UHFFFAOYSA-N
XLogP2.92
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[6-(hydroxymethyl)-3-pyridinyl]oxymethyl]benzonitrile
CID 79800273
N-[[5-[(3-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79788995
[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methanol
CID 79800019
5-[(3-bromophenyl)methoxy]pyridine-2-carbaldehyde
CID 79794412
[5-[(3,4-difluorophenyl)methoxy]-2-pyridinyl]methanol
CID 18758409
1-bromo-3-[(4-fluorophenoxy)methyl]benzene
CID 60643983
1-bromo-3-[(4-iodophenoxy)methyl]benzene
CID 60645515
2-bromo-6-[(3-bromophenyl)methoxy]naphthalene
CID 7786828
1-bromo-3-[(4-chlorophenoxy)methyl]benzene
CID 60643956
1-bromo-3-[(4-propoxyphenoxy)methyl]benzene
CID 60645272
4-[(3-bromophenyl)methoxy]benzamide
CID 26051380
[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methanamine
CID 113454081

Frequently Asked Questions

What is the IUPAC name of [5-[(3-bromophenyl)methoxy]-2-pyridinyl]methanol?
The IUPAC name of [5-[(3-bromophenyl)methoxy]-2-pyridinyl]methanol (CID 79793730) is [5-[(3-bromophenyl)methoxy]-2-pyridinyl]methanol.
What is the SMILES notation for [5-[(3-bromophenyl)methoxy]-2-pyridinyl]methanol?
The canonical SMILES for [5-[(3-bromophenyl)methoxy]-2-pyridinyl]methanol is OCc1ccc(OCc2cccc(Br)c2)cn1.
What is the InChIKey of [5-[(3-bromophenyl)methoxy]-2-pyridinyl]methanol?
The InChIKey is SYEGWBJXJLSUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c14-11-3-1-2-10(6-11)9-17-13-5-4-12(8-16)15-7-13/h1-7,16H,8-9H2.
What are the key properties of [5-[(3-bromophenyl)methoxy]-2-pyridinyl]methanol?
[5-[(3-bromophenyl)methoxy]-2-pyridinyl]methanol has a molecular weight of 294.15 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-bromophenyl)methoxy]-2-pyridinyl]methanol is sourced from PubChem (CID 79793730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).