2-bromo-3-pyridin-3-ylpropan-1-ol

C8H10BrNO — CID 70078004

IUPAC2-bromo-3-pyridin-3-ylpropan-1-ol
SMILESOCC(Br)Cc1cccnc1
InChIInChI=1S/C8H10BrNO/c9-8(6-11)4-7-2-1-3-10-5-7/h1-3,5,8,11H,4,6H2
InChIKeyUALVHPDNTRKZRV-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.38
Rot. Bonds3

About 2-bromo-3-pyridin-3-ylpropan-1-ol

2-bromo-3-pyridin-3-ylpropan-1-ol (PubChem CID 70078004) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 2-bromo-3-pyridin-3-ylpropan-1-ol.

Molecular Properties

Compound Name2-bromo-3-pyridin-3-ylpropan-1-ol
PubChem CID70078004
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name2-bromo-3-pyridin-3-ylpropan-1-ol
SMILESOCC(Br)Cc1cccnc1
InChIInChI=1S/C8H10BrNO/c9-8(6-11)4-7-2-1-3-10-5-7/h1-3,5,8,11H,4,6H2
InChIKeyUALVHPDNTRKZRV-UHFFFAOYSA-N
XLogP1.38
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(hydroxymethyl)-3-pyridin-3-ylpropanenitrile
CID 97034653
bromomethane;pyridin-3-ylmethanol
CID 158702197
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494
3-(2,2-dimethoxyethyl)pyridine
CID 118705230
1-(3,5-dichlorophenyl)-2-pyridin-3-ylethanol
CID 113446836
argon;2-pyridin-3-ylethanol
CID 159015973
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
N-methyl-1-pyridin-3-ylbutan-2-amine
CID 62552734
1-pyridin-3-ylpentan-2-ol
CID 62553061
iron(3+);tris(3-(pyridin-3-ylmethyl)pentane-2,4-dione)
CID 159970189
3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol
CID 63260593
1-(2-bromophenyl)-3-pyridin-3-ylpropan-2-ol
CID 62553405

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-pyridin-3-ylpropan-1-ol?
The IUPAC name of 2-bromo-3-pyridin-3-ylpropan-1-ol (CID 70078004) is 2-bromo-3-pyridin-3-ylpropan-1-ol.
What is the SMILES notation for 2-bromo-3-pyridin-3-ylpropan-1-ol?
The canonical SMILES for 2-bromo-3-pyridin-3-ylpropan-1-ol is OCC(Br)Cc1cccnc1.
What is the InChIKey of 2-bromo-3-pyridin-3-ylpropan-1-ol?
The InChIKey is UALVHPDNTRKZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c9-8(6-11)4-7-2-1-3-10-5-7/h1-3,5,8,11H,4,6H2.
What are the key properties of 2-bromo-3-pyridin-3-ylpropan-1-ol?
2-bromo-3-pyridin-3-ylpropan-1-ol has a molecular weight of 216.08 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-pyridin-3-ylpropan-1-ol is sourced from PubChem (CID 70078004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).