1-(2-bromophenyl)-3-pyridin-3-ylpropan-2-ol

C14H14BrNO — CID 62553405

IUPAC1-(2-bromophenyl)-3-pyridin-3-ylpropan-2-ol
SMILESOC(Cc1cccnc1)Cc1ccccc1Br
InChIInChI=1S/C14H14BrNO/c15-14-6-2-1-5-12(14)9-13(17)8-11-4-3-7-16-10-11/h1-7,10,13,17H,8-9H2
InChIKeyUWDISJONUFINKC-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.99
Rot. Bonds4

About 1-(2-bromophenyl)-3-pyridin-3-ylpropan-2-ol

1-(2-bromophenyl)-3-pyridin-3-ylpropan-2-ol (PubChem CID 62553405) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-pyridin-3-ylpropan-2-ol
PubChem CID62553405
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name1-(2-bromophenyl)-3-pyridin-3-ylpropan-2-ol
SMILESOC(Cc1cccnc1)Cc1ccccc1Br
InChIInChI=1S/C14H14BrNO/c15-14-6-2-1-5-12(14)9-13(17)8-11-4-3-7-16-10-11/h1-7,10,13,17H,8-9H2
InChIKeyUWDISJONUFINKC-UHFFFAOYSA-N
XLogP2.99
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-chloro-4-fluorophenyl)-3-pyridin-3-ylpropan-2-ol
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1-pyridin-3-ylpentan-2-ol
CID 62553061
1-(dimethylamino)-3-pyridin-3-ylpropan-2-ol
CID 104736153
1-methylsulfonyl-3-pyridin-3-ylpropan-2-ol
CID 115832186
1-(3,5-dibromo-2-pyridinyl)-2-pyridin-3-ylethanol
CID 104735851
(2R)-1-(2-bromophenyl)pentan-2-ol
CID 93312348
2-bromo-3-pyridin-3-ylpropan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-pyridin-3-ylpropan-2-ol?
The IUPAC name of 1-(2-bromophenyl)-3-pyridin-3-ylpropan-2-ol (CID 62553405) is 1-(2-bromophenyl)-3-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 1-(2-bromophenyl)-3-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 1-(2-bromophenyl)-3-pyridin-3-ylpropan-2-ol is OC(Cc1cccnc1)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-pyridin-3-ylpropan-2-ol?
The InChIKey is UWDISJONUFINKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c15-14-6-2-1-5-12(14)9-13(17)8-11-4-3-7-16-10-11/h1-7,10,13,17H,8-9H2.
What are the key properties of 1-(2-bromophenyl)-3-pyridin-3-ylpropan-2-ol?
1-(2-bromophenyl)-3-pyridin-3-ylpropan-2-ol has a molecular weight of 292.18 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 62553405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).