2-[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]phenyl]ethanol

C14H14BrNO2 — CID 107709601

IUPAC2-[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]phenyl]ethanol
SMILESCc1cc(Br)cnc1Oc1ccc(CCO)cc1
InChIInChI=1S/C14H14BrNO2/c1-10-8-12(15)9-16-14(10)18-13-4-2-11(3-5-13)6-7-17/h2-5,8-9,17H,6-7H2,1H3
InChIKeyTVYSNMCQXKYMJY-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.48
Rot. Bonds4

About 2-[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]phenyl]ethanol

2-[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]phenyl]ethanol (PubChem CID 107709601) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]phenyl]ethanol
PubChem CID107709601
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name2-[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]phenyl]ethanol
SMILESCc1cc(Br)cnc1Oc1ccc(CCO)cc1
InChIInChI=1S/C14H14BrNO2/c1-10-8-12(15)9-16-14(10)18-13-4-2-11(3-5-13)6-7-17/h2-5,8-9,17H,6-7H2,1H3
InChIKeyTVYSNMCQXKYMJY-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(4-bromophenoxy)-3-methylpyridine
CID 79713445
6-[4-(2-hydroxyethyl)phenoxy]-5-methylpyridine-3-carbaldehyde
CID 107709147
[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]-3-methoxyphenyl]methanol
CID 107743821
5-(bromomethyl)-3-methyl-2-(4-propylphenoxy)pyridine
CID 107088381
2-[4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxyphenyl]ethanol
CID 107710279
5-(bromomethyl)-2-[4-(2-methoxyethyl)phenoxy]-3-methylpyridine
CID 107087634
[6-(3,4-dimethylphenoxy)-5-methyl-3-pyridinyl]methanol
CID 80628087
2-[4-[(4-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107709611
5-bromo-3-methyl-2-(1-methylpyrazol-4-yl)oxypyridine
CID 116793296
[6-(4-bromo-3-fluorophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80628936
2-[4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine
CID 106796783
6-(4-butylphenoxy)-5-methylpyridin-3-amine
CID 115492232

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]phenyl]ethanol?
The IUPAC name of 2-[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]phenyl]ethanol (CID 107709601) is 2-[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]phenyl]ethanol is Cc1cc(Br)cnc1Oc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]phenyl]ethanol?
The InChIKey is TVYSNMCQXKYMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-10-8-12(15)9-16-14(10)18-13-4-2-11(3-5-13)6-7-17/h2-5,8-9,17H,6-7H2,1H3.
What are the key properties of 2-[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]phenyl]ethanol?
2-[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]phenyl]ethanol has a molecular weight of 308.18 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]phenyl]ethanol is sourced from PubChem (CID 107709601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).