3-(6-bromo-3-pyridinyl)pentan-3-ol

C10H14BrNO — CID 87795436

IUPAC3-(6-bromo-3-pyridinyl)pentan-3-ol
SMILESCCC(O)(CC)c1ccc(Br)nc1
InChIInChI=1S/C10H14BrNO/c1-3-10(13,4-2)8-5-6-9(11)12-7-8/h5-7,13H,3-4H2,1-2H3
InChIKeyFQQWXDXQXXFOSY-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.85
Rot. Bonds3

About 3-(6-bromo-3-pyridinyl)pentan-3-ol

3-(6-bromo-3-pyridinyl)pentan-3-ol (PubChem CID 87795436) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 3-(6-bromo-3-pyridinyl)pentan-3-ol.

Molecular Properties

Compound Name3-(6-bromo-3-pyridinyl)pentan-3-ol
PubChem CID87795436
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name3-(6-bromo-3-pyridinyl)pentan-3-ol
SMILESCCC(O)(CC)c1ccc(Br)nc1
InChIInChI=1S/C10H14BrNO/c1-3-10(13,4-2)8-5-6-9(11)12-7-8/h5-7,13H,3-4H2,1-2H3
InChIKeyFQQWXDXQXXFOSY-UHFFFAOYSA-N
XLogP2.85
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-3-pyridinyl)pentan-3-ol?
The IUPAC name of 3-(6-bromo-3-pyridinyl)pentan-3-ol (CID 87795436) is 3-(6-bromo-3-pyridinyl)pentan-3-ol.
What is the SMILES notation for 3-(6-bromo-3-pyridinyl)pentan-3-ol?
The canonical SMILES for 3-(6-bromo-3-pyridinyl)pentan-3-ol is CCC(O)(CC)c1ccc(Br)nc1.
What is the InChIKey of 3-(6-bromo-3-pyridinyl)pentan-3-ol?
The InChIKey is FQQWXDXQXXFOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-3-10(13,4-2)8-5-6-9(11)12-7-8/h5-7,13H,3-4H2,1-2H3.
What are the key properties of 3-(6-bromo-3-pyridinyl)pentan-3-ol?
3-(6-bromo-3-pyridinyl)pentan-3-ol has a molecular weight of 244.13 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-3-pyridinyl)pentan-3-ol is sourced from PubChem (CID 87795436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).