6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;2,6-dichloropyridine-3-carbaldehyde

C17H14Cl3N3O2 — CID 157231749

IUPAC6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;2,6-dichloropyridine-3-carbaldehyde
SMILESO=Cc1ccc(Cl)nc1Cl.O=Cc1ccc(N2CC3(CC3)C2)nc1Cl
InChIInChI=1S/C11H11ClN2O.C6H3Cl2NO/c12-10-8(5-15)1-2-9(13-10)14-6-11(7-14)3-4-11;7-5-2-1-4(3-10)6(8)9-5/h1-2,5H,3-4,6-7H2;1-3H
InChIKeyAUENNHZMILEHNJ-UHFFFAOYSA-N
MW398.68 g/mol
LogP4.35
Rot. Bonds3

About 6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;2,6-dichloropyridine-3-carbaldehyde

6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;2,6-dichloropyridine-3-carbaldehyde (PubChem CID 157231749) has the molecular formula C17H14Cl3N3O2 and a molecular weight of 398.68 g/mol. Its IUPAC name is 6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;2,6-dichloropyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;2,6-dichloropyridine-3-carbaldehyde
PubChem CID157231749
Molecular FormulaC17H14Cl3N3O2
Molecular Weight398.68 g/mol
Exact Mass397.02
IUPAC Name6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;2,6-dichloropyridine-3-carbaldehyde
SMILESO=Cc1ccc(Cl)nc1Cl.O=Cc1ccc(N2CC3(CC3)C2)nc1Cl
InChIInChI=1S/C11H11ClN2O.C6H3Cl2NO/c12-10-8(5-15)1-2-9(13-10)14-6-11(7-14)3-4-11;7-5-2-1-4(3-10)6(8)9-5/h1-2,5H,3-4,6-7H2;1-3H
InChIKeyAUENNHZMILEHNJ-UHFFFAOYSA-N
XLogP4.35
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.68
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-Chloro-6-(dimethylamino)pyridine-3-carbaldehyde
CID 45588339
6-Chloro-2-(dimethylamino)pyridine-3-carbaldehyde
CID 70699556
2-Chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carbaldehyde
CID 156825851
6-(5-Azaspiro[2.3]hexan-5-yl)-2-fluoropyridine-3-carbaldehyde
CID 156825917
2-Chloro-6-[[1-(3-fluoropropyl)azetidin-3-yl]amino]pyridine-3-carbaldehyde
CID 178088940
6-[(3-Chloro-pyridin-4-ylmethyl)-amino]-pyridine-3-carbaldehyde
CID 57619212
2-Chloro-6-(4-chloro-benzylamino)-pyridine-3-carbaldehyde
CID 57619299
6-Chloro-2-morpholin-4-yl-nicotinamide
CID 57968856
tert-butyl N-(6-chloro-5-formyl-2-pyridinyl)-N-[(6-chloro-3-pyridinyl)methyl]carbamate
CID 58258939
2-Chloro-6-[(6-chloro-3-pyridinyl)methylamino]pyridine-3-carbaldehyde
CID 58259252
6-[(6-Chloro-3-pyridinyl)methylamino]pyridine-3-carbaldehyde
CID 58259281
6-[(6-Chloro-3-pyridinyl)methylamino]-5-methylpyridine-3-carbaldehyde
CID 58259450

Frequently Asked Questions

What is the IUPAC name of 6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;2,6-dichloropyridine-3-carbaldehyde?
The IUPAC name of 6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;2,6-dichloropyridine-3-carbaldehyde (CID 157231749) is 6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;2,6-dichloropyridine-3-carbaldehyde.
What is the SMILES notation for 6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;2,6-dichloropyridine-3-carbaldehyde?
The canonical SMILES for 6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;2,6-dichloropyridine-3-carbaldehyde is O=Cc1ccc(Cl)nc1Cl.O=Cc1ccc(N2CC3(CC3)C2)nc1Cl.
What is the InChIKey of 6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;2,6-dichloropyridine-3-carbaldehyde?
The InChIKey is AUENNHZMILEHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O.C6H3Cl2NO/c12-10-8(5-15)1-2-9(13-10)14-6-11(7-14)3-4-11;7-5-2-1-4(3-10)6(8)9-5/h1-2,5H,3-4,6-7H2;1-3H.
What are the key properties of 6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;2,6-dichloropyridine-3-carbaldehyde?
6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;2,6-dichloropyridine-3-carbaldehyde has a molecular weight of 398.68 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;2,6-dichloropyridine-3-carbaldehyde is sourced from PubChem (CID 157231749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).