4-(6-bromo-3-pyridinyl)butan-1-ol

C9H12BrNO — CID 87305203

IUPAC4-(6-bromo-3-pyridinyl)butan-1-ol
SMILESOCCCCc1ccc(Br)nc1
InChIInChI=1S/C9H12BrNO/c10-9-5-4-8(7-11-9)3-1-2-6-12/h4-5,7,12H,1-3,6H2
InChIKeyDAYOBKXWULHVJQ-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.16
Rot. Bonds4

About 4-(6-bromo-3-pyridinyl)butan-1-ol

4-(6-bromo-3-pyridinyl)butan-1-ol (PubChem CID 87305203) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 4-(6-bromo-3-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name4-(6-bromo-3-pyridinyl)butan-1-ol
PubChem CID87305203
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name4-(6-bromo-3-pyridinyl)butan-1-ol
SMILESOCCCCc1ccc(Br)nc1
InChIInChI=1S/C9H12BrNO/c10-9-5-4-8(7-11-9)3-1-2-6-12/h4-5,7,12H,1-3,6H2
InChIKeyDAYOBKXWULHVJQ-UHFFFAOYSA-N
XLogP2.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-3-pyridinyl)butan-1-ol?
The IUPAC name of 4-(6-bromo-3-pyridinyl)butan-1-ol (CID 87305203) is 4-(6-bromo-3-pyridinyl)butan-1-ol.
What is the SMILES notation for 4-(6-bromo-3-pyridinyl)butan-1-ol?
The canonical SMILES for 4-(6-bromo-3-pyridinyl)butan-1-ol is OCCCCc1ccc(Br)nc1.
What is the InChIKey of 4-(6-bromo-3-pyridinyl)butan-1-ol?
The InChIKey is DAYOBKXWULHVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c10-9-5-4-8(7-11-9)3-1-2-6-12/h4-5,7,12H,1-3,6H2.
What are the key properties of 4-(6-bromo-3-pyridinyl)butan-1-ol?
4-(6-bromo-3-pyridinyl)butan-1-ol has a molecular weight of 230.10 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-3-pyridinyl)butan-1-ol is sourced from PubChem (CID 87305203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).