6-chloro-4-piperidin-1-ylpyridine-3-carbaldehyde

C11H13ClN2O — CID 115034801

IUPAC6-chloro-4-piperidin-1-ylpyridine-3-carbaldehyde
SMILESO=Cc1cnc(Cl)cc1N1CCCCC1
InChIInChI=1S/C11H13ClN2O/c12-11-6-10(9(8-15)7-13-11)14-4-2-1-3-5-14/h6-8H,1-5H2
InChIKeyAIGXKKDPLDDWOM-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.54
Rot. Bonds2

About 6-chloro-4-piperidin-1-ylpyridine-3-carbaldehyde

6-chloro-4-piperidin-1-ylpyridine-3-carbaldehyde (PubChem CID 115034801) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 6-chloro-4-piperidin-1-ylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-4-piperidin-1-ylpyridine-3-carbaldehyde
PubChem CID115034801
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name6-chloro-4-piperidin-1-ylpyridine-3-carbaldehyde
SMILESO=Cc1cnc(Cl)cc1N1CCCCC1
InChIInChI=1S/C11H13ClN2O/c12-11-6-10(9(8-15)7-13-11)14-4-2-1-3-5-14/h6-8H,1-5H2
InChIKeyAIGXKKDPLDDWOM-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-pyrrolidin-1-ylpyridine-3-carbaldehyde
CID 10607369
4-methyl-6-pyrrolidin-1-ylpyridine-3-carbaldehyde
CID 102545487
6-chloro-4-piperidin-1-ylpyridazin-3-amine
CID 122508018
2-chloro-4-piperidin-1-ylbenzaldehyde;hydrochloride
CID 44890760
2-chloro-4-pyrrolidin-1-ylbenzaldehyde
CID 7148620
3,8-di(piperidin-1-yl)pyrene-1,6-dicarbaldehyde
CID 122385451
2-(azepan-1-yl)pyrimidine-5-carbaldehyde
CID 62756388
3-piperidin-1-ylpyridine-2-carbaldehyde
CID 84662702
5-bromo-2-pyrrolidin-1-ylbenzaldehyde
CID 23091126
8-chloro-2-piperidin-1-ylquinoline-3-carbaldehyde
CID 20983112
5-chloro-4-pyrrolidin-1-ylpyridine-2-carboxylic acid
CID 84690742
6-chloro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 119024459

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-piperidin-1-ylpyridine-3-carbaldehyde?
The IUPAC name of 6-chloro-4-piperidin-1-ylpyridine-3-carbaldehyde (CID 115034801) is 6-chloro-4-piperidin-1-ylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-chloro-4-piperidin-1-ylpyridine-3-carbaldehyde?
The canonical SMILES for 6-chloro-4-piperidin-1-ylpyridine-3-carbaldehyde is O=Cc1cnc(Cl)cc1N1CCCCC1.
What is the InChIKey of 6-chloro-4-piperidin-1-ylpyridine-3-carbaldehyde?
The InChIKey is AIGXKKDPLDDWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-11-6-10(9(8-15)7-13-11)14-4-2-1-3-5-14/h6-8H,1-5H2.
What are the key properties of 6-chloro-4-piperidin-1-ylpyridine-3-carbaldehyde?
6-chloro-4-piperidin-1-ylpyridine-3-carbaldehyde has a molecular weight of 224.69 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-piperidin-1-ylpyridine-3-carbaldehyde is sourced from PubChem (CID 115034801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).