1-(3-bromo-5-chloro-2-pyridinyl)piperidine-2-carbaldehyde

C11H12BrClN2O — CID 114838370

IUPAC1-(3-bromo-5-chloro-2-pyridinyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1c1ncc(Cl)cc1Br
InChIInChI=1S/C11H12BrClN2O/c12-10-5-8(13)6-14-11(10)15-4-2-1-3-9(15)7-16/h5-7,9H,1-4H2
InChIKeyXMHALGIJPKQYMN-UHFFFAOYSA-N
MW303.59 g/mol
LogP3.06
Rot. Bonds2

About 1-(3-bromo-5-chloro-2-pyridinyl)piperidine-2-carbaldehyde

1-(3-bromo-5-chloro-2-pyridinyl)piperidine-2-carbaldehyde (PubChem CID 114838370) has the molecular formula C11H12BrClN2O and a molecular weight of 303.59 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-pyridinyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-pyridinyl)piperidine-2-carbaldehyde
PubChem CID114838370
Molecular FormulaC11H12BrClN2O
Molecular Weight303.59 g/mol
Exact Mass301.98
IUPAC Name1-(3-bromo-5-chloro-2-pyridinyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1c1ncc(Cl)cc1Br
InChIInChI=1S/C11H12BrClN2O/c12-10-5-8(13)6-14-11(10)15-4-2-1-3-9(15)7-16/h5-7,9H,1-4H2
InChIKeyXMHALGIJPKQYMN-UHFFFAOYSA-N
XLogP3.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.59
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-pyridinyl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(3-bromo-5-chloro-2-pyridinyl)piperidine-2-carbaldehyde (CID 114838370) is 1-(3-bromo-5-chloro-2-pyridinyl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-pyridinyl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(3-bromo-5-chloro-2-pyridinyl)piperidine-2-carbaldehyde is O=CC1CCCCN1c1ncc(Cl)cc1Br.
What is the InChIKey of 1-(3-bromo-5-chloro-2-pyridinyl)piperidine-2-carbaldehyde?
The InChIKey is XMHALGIJPKQYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2O/c12-10-5-8(13)6-14-11(10)15-4-2-1-3-9(15)7-16/h5-7,9H,1-4H2.
What are the key properties of 1-(3-bromo-5-chloro-2-pyridinyl)piperidine-2-carbaldehyde?
1-(3-bromo-5-chloro-2-pyridinyl)piperidine-2-carbaldehyde has a molecular weight of 303.59 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-pyridinyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 114838370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).