1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol

C15H16BrNO2 — CID 112650650

IUPAC1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol
SMILESCc1cccnc1COc1ccc(Br)cc1C(C)O
InChIInChI=1S/C15H16BrNO2/c1-10-4-3-7-17-14(10)9-19-15-6-5-12(16)8-13(15)11(2)18/h3-8,11,18H,9H2,1-2H3
InChIKeyYKDUNTMOXYKFIN-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.78
Rot. Bonds4

About 1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol

1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol (PubChem CID 112650650) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol
PubChem CID112650650
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol
SMILESCc1cccnc1COc1ccc(Br)cc1C(C)O
InChIInChI=1S/C15H16BrNO2/c1-10-4-3-7-17-14(10)9-19-15-6-5-12(16)8-13(15)11(2)18/h3-8,11,18H,9H2,1-2H3
InChIKeyYKDUNTMOXYKFIN-UHFFFAOYSA-N
XLogP3.78
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 103954533
1-[5-chloro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 112650649
1-[2-[(3-methyl-2-pyridinyl)methoxy]-5-nitrophenyl]ethanol
CID 116541889
1-[5-bromo-2-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 62380101
2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylpyridine
CID 112549915
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268
3-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 112651495
2-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 112651125
1-[5-methyl-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 112649868
(1S)-1-[5-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78944614
(1S)-1-[5-bromo-2-(methoxymethoxy)phenyl]ethanol
CID 79005339
(1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol
CID 55189545

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol (CID 112650650) is 1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol is Cc1cccnc1COc1ccc(Br)cc1C(C)O.
What is the InChIKey of 1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol?
The InChIKey is YKDUNTMOXYKFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-10-4-3-7-17-14(10)9-19-15-6-5-12(16)8-13(15)11(2)18/h3-8,11,18H,9H2,1-2H3.
What are the key properties of 1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol?
1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol has a molecular weight of 322.20 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 112650650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).