1-(3-bromophenyl)-1-pyridin-2-ylethanol

C13H12BrNO — CID 163303407

IUPAC1-(3-bromophenyl)-1-pyridin-2-ylethanol
SMILESCC(O)(c1cccc(Br)c1)c1ccccn1
InChIInChI=1S/C13H12BrNO/c1-13(16,12-7-2-3-8-15-12)10-5-4-6-11(14)9-10/h2-9,16H,1H3
InChIKeyPUVOROYJVRETOJ-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.10
Rot. Bonds2

About 1-(3-bromophenyl)-1-pyridin-2-ylethanol

1-(3-bromophenyl)-1-pyridin-2-ylethanol (PubChem CID 163303407) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-pyridin-2-ylethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-pyridin-2-ylethanol
PubChem CID163303407
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name1-(3-bromophenyl)-1-pyridin-2-ylethanol
SMILESCC(O)(c1cccc(Br)c1)c1ccccn1
InChIInChI=1S/C13H12BrNO/c1-13(16,12-7-2-3-8-15-12)10-5-4-6-11(14)9-10/h2-9,16H,1H3
InChIKeyPUVOROYJVRETOJ-UHFFFAOYSA-N
XLogP3.10
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[2-(3-methylphenyl)propan-2-yl]pyridine
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-pyridin-2-ylethanol?
The IUPAC name of 1-(3-bromophenyl)-1-pyridin-2-ylethanol (CID 163303407) is 1-(3-bromophenyl)-1-pyridin-2-ylethanol.
What is the SMILES notation for 1-(3-bromophenyl)-1-pyridin-2-ylethanol?
The canonical SMILES for 1-(3-bromophenyl)-1-pyridin-2-ylethanol is CC(O)(c1cccc(Br)c1)c1ccccn1.
What is the InChIKey of 1-(3-bromophenyl)-1-pyridin-2-ylethanol?
The InChIKey is PUVOROYJVRETOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c1-13(16,12-7-2-3-8-15-12)10-5-4-6-11(14)9-10/h2-9,16H,1H3.
What are the key properties of 1-(3-bromophenyl)-1-pyridin-2-ylethanol?
1-(3-bromophenyl)-1-pyridin-2-ylethanol has a molecular weight of 278.15 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-pyridin-2-ylethanol is sourced from PubChem (CID 163303407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).