1-(3-bromophenyl)-2-(3-methyl-2-pyridinyl)ethanol

C14H14BrNO — CID 66461704

IUPAC1-(3-bromophenyl)-2-(3-methyl-2-pyridinyl)ethanol
SMILESCc1cccnc1CC(O)c1cccc(Br)c1
InChIInChI=1S/C14H14BrNO/c1-10-4-3-7-16-13(10)9-14(17)11-5-2-6-12(15)8-11/h2-8,14,17H,9H2,1H3
InChIKeyNWMBDUXJRNXUPU-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.43
Rot. Bonds3

About 1-(3-bromophenyl)-2-(3-methyl-2-pyridinyl)ethanol

1-(3-bromophenyl)-2-(3-methyl-2-pyridinyl)ethanol (PubChem CID 66461704) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(3-methyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(3-methyl-2-pyridinyl)ethanol
PubChem CID66461704
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name1-(3-bromophenyl)-2-(3-methyl-2-pyridinyl)ethanol
SMILESCc1cccnc1CC(O)c1cccc(Br)c1
InChIInChI=1S/C14H14BrNO/c1-10-4-3-7-16-13(10)9-14(17)11-5-2-6-12(15)8-11/h2-8,14,17H,9H2,1H3
InChIKeyNWMBDUXJRNXUPU-UHFFFAOYSA-N
XLogP3.43
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-bromonaphthalen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol
CID 115354635
1-(3-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114020682
1-(3-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448055
1-(3-bromo-4-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66461101
1-(3-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114020683
1-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114561348
1-(3-bromophenyl)-2-(1H-imidazol-2-yl)ethanol
CID 61080867
1-(4,5-dimethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66459897
1-(2-chloro-3-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 81461099
1-(3-bromo-5-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446478
1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanol
CID 110885644
1-(3-bromophenyl)butan-1-ol
CID 18417756

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(3-methyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-(3-methyl-2-pyridinyl)ethanol (CID 66461704) is 1-(3-bromophenyl)-2-(3-methyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-(3-methyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-(3-methyl-2-pyridinyl)ethanol is Cc1cccnc1CC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(3-methyl-2-pyridinyl)ethanol?
The InChIKey is NWMBDUXJRNXUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-10-4-3-7-16-13(10)9-14(17)11-5-2-6-12(15)8-11/h2-8,14,17H,9H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(3-methyl-2-pyridinyl)ethanol?
1-(3-bromophenyl)-2-(3-methyl-2-pyridinyl)ethanol has a molecular weight of 292.18 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(3-methyl-2-pyridinyl)ethanol is sourced from PubChem (CID 66461704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).