4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbaldehyde

C11H13BrClN3O — CID 137411433

IUPAC4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbaldehyde
SMILESNC1(C=O)CCN(c2c(Cl)cncc2Br)CC1
InChIInChI=1S/C11H13BrClN3O/c12-8-5-15-6-9(13)10(8)16-3-1-11(14,7-17)2-4-16/h5-7H,1-4,14H2
InChIKeyTYJFXEKVKPEWGH-UHFFFAOYSA-N
MW318.60 g/mol
LogP1.99
Rot. Bonds2

About 4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbaldehyde

4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbaldehyde (PubChem CID 137411433) has the molecular formula C11H13BrClN3O and a molecular weight of 318.60 g/mol. Its IUPAC name is 4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbaldehyde
PubChem CID137411433
Molecular FormulaC11H13BrClN3O
Molecular Weight318.60 g/mol
Exact Mass316.99
IUPAC Name4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbaldehyde
SMILESNC1(C=O)CCN(c2c(Cl)cncc2Br)CC1
InChIInChI=1S/C11H13BrClN3O/c12-8-5-15-6-9(13)10(8)16-3-1-11(14,7-17)2-4-16/h5-7H,1-4,14H2
InChIKeyTYJFXEKVKPEWGH-UHFFFAOYSA-N
XLogP1.99
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.60
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbaldehyde?
The IUPAC name of 4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbaldehyde (CID 137411433) is 4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbaldehyde?
The canonical SMILES for 4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbaldehyde is NC1(C=O)CCN(c2c(Cl)cncc2Br)CC1.
What is the InChIKey of 4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbaldehyde?
The InChIKey is TYJFXEKVKPEWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN3O/c12-8-5-15-6-9(13)10(8)16-3-1-11(14,7-17)2-4-16/h5-7H,1-4,14H2.
What are the key properties of 4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbaldehyde?
4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbaldehyde has a molecular weight of 318.60 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 137411433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).