2-(3-bromo-4-pyridinyl)propan-2-ol

C8H10BrNO — CID 59636235

IUPAC2-(3-bromo-4-pyridinyl)propan-2-ol
SMILESCC(C)(O)c1ccncc1Br
InChIInChI=1S/C8H10BrNO/c1-8(2,11)6-3-4-10-5-7(6)9/h3-5,11H,1-2H3
InChIKeyVGDWPHZYMLRGOC-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.07
Rot. Bonds1

About 2-(3-bromo-4-pyridinyl)propan-2-ol

2-(3-bromo-4-pyridinyl)propan-2-ol (PubChem CID 59636235) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 2-(3-bromo-4-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-bromo-4-pyridinyl)propan-2-ol
PubChem CID59636235
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name2-(3-bromo-4-pyridinyl)propan-2-ol
SMILESCC(C)(O)c1ccncc1Br
InChIInChI=1S/C8H10BrNO/c1-8(2,11)6-3-4-10-5-7(6)9/h3-5,11H,1-2H3
InChIKeyVGDWPHZYMLRGOC-UHFFFAOYSA-N
XLogP2.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-pyridinyl)propan-2-ol?
The IUPAC name of 2-(3-bromo-4-pyridinyl)propan-2-ol (CID 59636235) is 2-(3-bromo-4-pyridinyl)propan-2-ol.
What is the SMILES notation for 2-(3-bromo-4-pyridinyl)propan-2-ol?
The canonical SMILES for 2-(3-bromo-4-pyridinyl)propan-2-ol is CC(C)(O)c1ccncc1Br.
What is the InChIKey of 2-(3-bromo-4-pyridinyl)propan-2-ol?
The InChIKey is VGDWPHZYMLRGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-8(2,11)6-3-4-10-5-7(6)9/h3-5,11H,1-2H3.
What are the key properties of 2-(3-bromo-4-pyridinyl)propan-2-ol?
2-(3-bromo-4-pyridinyl)propan-2-ol has a molecular weight of 216.08 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-pyridinyl)propan-2-ol is sourced from PubChem (CID 59636235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).