2-(6-bromo-3-pyridinyl)piperidine-1-carbaldehyde

C11H13BrN2O — CID 102539255

IUPAC2-(6-bromo-3-pyridinyl)piperidine-1-carbaldehyde
SMILESO=CN1CCCCC1c1ccc(Br)nc1
InChIInChI=1S/C11H13BrN2O/c12-11-5-4-9(7-13-11)10-3-1-2-6-14(10)8-15/h4-5,7-8,10H,1-3,6H2
InChIKeyHAPZKAYVZRPAJP-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.53
Rot. Bonds2

About 2-(6-bromo-3-pyridinyl)piperidine-1-carbaldehyde

2-(6-bromo-3-pyridinyl)piperidine-1-carbaldehyde (PubChem CID 102539255) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 2-(6-bromo-3-pyridinyl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name2-(6-bromo-3-pyridinyl)piperidine-1-carbaldehyde
PubChem CID102539255
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name2-(6-bromo-3-pyridinyl)piperidine-1-carbaldehyde
SMILESO=CN1CCCCC1c1ccc(Br)nc1
InChIInChI=1S/C11H13BrN2O/c12-11-5-4-9(7-13-11)10-3-1-2-6-14(10)8-15/h4-5,7-8,10H,1-3,6H2
InChIKeyHAPZKAYVZRPAJP-UHFFFAOYSA-N
XLogP2.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-pyridinyl)piperidine-1-carbaldehyde?
The IUPAC name of 2-(6-bromo-3-pyridinyl)piperidine-1-carbaldehyde (CID 102539255) is 2-(6-bromo-3-pyridinyl)piperidine-1-carbaldehyde.
What is the SMILES notation for 2-(6-bromo-3-pyridinyl)piperidine-1-carbaldehyde?
The canonical SMILES for 2-(6-bromo-3-pyridinyl)piperidine-1-carbaldehyde is O=CN1CCCCC1c1ccc(Br)nc1.
What is the InChIKey of 2-(6-bromo-3-pyridinyl)piperidine-1-carbaldehyde?
The InChIKey is HAPZKAYVZRPAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c12-11-5-4-9(7-13-11)10-3-1-2-6-14(10)8-15/h4-5,7-8,10H,1-3,6H2.
What are the key properties of 2-(6-bromo-3-pyridinyl)piperidine-1-carbaldehyde?
2-(6-bromo-3-pyridinyl)piperidine-1-carbaldehyde has a molecular weight of 269.14 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3-pyridinyl)piperidine-1-carbaldehyde is sourced from PubChem (CID 102539255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).