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

C11H13ClN2O — CID 62662720

IUPAC1-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1c1ccc(Cl)cn1
InChIInChI=1S/C11H13ClN2O/c12-9-4-5-11(13-7-9)14-6-2-1-3-10(14)8-15/h4-5,7-8,10H,1-3,6H2
InChIKeyRXNUHPDZVQVYHP-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.29
Rot. Bonds2

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

1-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde (PubChem CID 62662720) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde
PubChem CID62662720
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name1-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1c1ccc(Cl)cn1
InChIInChI=1S/C11H13ClN2O/c12-9-4-5-11(13-7-9)14-6-2-1-3-10(14)8-15/h4-5,7-8,10H,1-3,6H2
InChIKeyRXNUHPDZVQVYHP-UHFFFAOYSA-N
XLogP2.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile
CID 62662719
1-pyridin-2-ylpiperidine-2-carbaldehyde
CID 62665226
(4aR,8aR)-1-(5-chloro-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727780
1-(3-bromo-5-chloro-2-pyridinyl)piperidine-2-carbaldehyde
CID 114838370
1-(4-methyl-2-pyridinyl)piperidine-2-carbaldehyde
CID 62663428
methyl 1-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 62005497
(2S)-1-phenylpiperidine-2-carbaldehyde
CID 86336366
1-quinazolin-2-ylpiperidine-2-carbaldehyde
CID 114789784
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
1-(6-acetyl-3-pyridinyl)piperidine-2-carbaldehyde
CID 83128897
1-(4-hydroxyphenyl)piperidine-2-carbaldehyde
CID 175249776
(3S,4R)-3-[(2R)-1-(5-chloro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol
CID 129352735

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde (CID 62662720) is 1-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde is O=CC1CCCCN1c1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde?
The InChIKey is RXNUHPDZVQVYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-9-4-5-11(13-7-9)14-6-2-1-3-10(14)8-15/h4-5,7-8,10H,1-3,6H2.
What are the key properties of 1-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde?
1-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde has a molecular weight of 224.69 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 62662720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).