6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;[6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol

C22H24Cl2N4O2 — CID 159071629

IUPAC6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;[6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol
SMILESO=Cc1ccc(N2CC3(CC3)C2)nc1Cl.OCc1ccc(N2CC3(CC3)C2)nc1Cl
InChIInChI=1S/C11H13ClN2O.C11H11ClN2O/c2*12-10-8(5-15)1-2-9(13-10)14-6-11(7-14)3-4-11/h1-2,15H,3-7H2;1-2,5H,3-4,6-7H2
InChIKeyJZSKBWGOOQEQBQ-UHFFFAOYSA-N
MW447.37 g/mol
LogP3.98
Rot. Bonds4

About 6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;[6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol

6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;[6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol (PubChem CID 159071629) has the molecular formula C22H24Cl2N4O2 and a molecular weight of 447.37 g/mol. Its IUPAC name is 6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;[6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol.

Molecular Properties

Compound Name6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;[6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol
PubChem CID159071629
Molecular FormulaC22H24Cl2N4O2
Molecular Weight447.37 g/mol
Exact Mass446.13
IUPAC Name6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;[6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol
SMILESO=Cc1ccc(N2CC3(CC3)C2)nc1Cl.OCc1ccc(N2CC3(CC3)C2)nc1Cl
InChIInChI=1S/C11H13ClN2O.C11H11ClN2O/c2*12-10-8(5-15)1-2-9(13-10)14-6-11(7-14)3-4-11/h1-2,15H,3-7H2;1-2,5H,3-4,6-7H2
InChIKeyJZSKBWGOOQEQBQ-UHFFFAOYSA-N
XLogP3.98
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(6-Azaspiro[2.5]octan-6-yl)-6-chloropyridine-3-carboxylic acid
CID 152061872
6-(5-Azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;2,6-dichloropyridine-3-carbaldehyde
CID 157231749
6-(5-Azaspiro[2.3]hexan-5-yl)-2-methylpyridine-3-carbaldehyde;[6-(5-azaspiro[2.3]hexan-5-yl)-2-methyl-3-pyridinyl]methanol;6-chloro-2-methylpyridine-3-carbaldehyde
CID 158032063
6-Chloro-2-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 63376824
6-Chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 63380367
2-[Bis(cyclopropylmethyl)amino]-6-chloropyridine-3-carboxylic acid
CID 64215464

Frequently Asked Questions

What is the IUPAC name of 6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;[6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol?
The IUPAC name of 6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;[6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol (CID 159071629) is 6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;[6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol.
What is the SMILES notation for 6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;[6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol?
The canonical SMILES for 6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;[6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol is O=Cc1ccc(N2CC3(CC3)C2)nc1Cl.OCc1ccc(N2CC3(CC3)C2)nc1Cl.
What is the InChIKey of 6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;[6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol?
The InChIKey is JZSKBWGOOQEQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O.C11H11ClN2O/c2*12-10-8(5-15)1-2-9(13-10)14-6-11(7-14)3-4-11/h1-2,15H,3-7H2;1-2,5H,3-4,6-7H2.
What are the key properties of 6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;[6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol?
6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;[6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol has a molecular weight of 447.37 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-azaspiro[2.3]hexan-5-yl)-2-chloropyridine-3-carbaldehyde;[6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol is sourced from PubChem (CID 159071629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).