[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]methanol

C14H14BrNO2 — CID 104798784

IUPAC[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]methanol
SMILESCc1cccc(CO)c1OCc1ccc(Br)cn1
InChIInChI=1S/C14H14BrNO2/c1-10-3-2-4-11(8-17)14(10)18-9-13-6-5-12(15)7-16-13/h2-7,17H,8-9H2,1H3
InChIKeyUCNVAEDVUWWRQZ-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.22
Rot. Bonds4

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

[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]methanol (PubChem CID 104798784) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is [2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]methanol.

Molecular Properties

Compound Name[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]methanol
PubChem CID104798784
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]methanol
SMILESCc1cccc(CO)c1OCc1ccc(Br)cn1
InChIInChI=1S/C14H14BrNO2/c1-10-3-2-4-11(8-17)14(10)18-9-13-6-5-12(15)7-16-13/h2-7,17H,8-9H2,1H3
InChIKeyUCNVAEDVUWWRQZ-UHFFFAOYSA-N
XLogP3.22
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]butan-2-amine
CID 104808041
5-bromo-2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine
CID 113454492
1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 104796464
[2-[(2-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]methanol
CID 112612374
[3-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 112612377
(2-decoxy-3-methylphenyl)methanol
CID 115956202
5-bromo-2-[(3-bromophenoxy)methyl]pyridine
CID 104797443
[2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]methanol
CID 115956158
[2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-methylphenyl]methanol
CID 115956147
5-bromo-2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]pyridine
CID 104799223
3-[2-(hydroxymethyl)-6-methylphenoxy]propane-1,2-diol
CID 112612371
[2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methanol
CID 112612503

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]methanol?
The IUPAC name of [2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]methanol (CID 104798784) is [2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]methanol.
What is the SMILES notation for [2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]methanol?
The canonical SMILES for [2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]methanol is Cc1cccc(CO)c1OCc1ccc(Br)cn1.
What is the InChIKey of [2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]methanol?
The InChIKey is UCNVAEDVUWWRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-10-3-2-4-11(8-17)14(10)18-9-13-6-5-12(15)7-16-13/h2-7,17H,8-9H2,1H3.
What are the key properties of [2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]methanol?
[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]methanol has a molecular weight of 308.18 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]methanol is sourced from PubChem (CID 104798784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).