(2,6-dichloro-3-pyridinyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone

C13H14Cl2N2O3 — CID 106994159

IUPAC(2,6-dichloro-3-pyridinyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1ccc(Cl)nc1Cl)N1CCCC2(C1)OCCO2
InChIInChI=1S/C13H14Cl2N2O3/c14-10-3-2-9(11(15)16-10)12(18)17-5-1-4-13(8-17)19-6-7-20-13/h2-3H,1,4-8H2
InChIKeyOKCKPFWANKFKJU-UHFFFAOYSA-N
MW317.17 g/mol
LogP2.37
Rot. Bonds1

About (2,6-dichloro-3-pyridinyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone

(2,6-dichloro-3-pyridinyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone (PubChem CID 106994159) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is (2,6-dichloro-3-pyridinyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(2,6-dichloro-3-pyridinyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
PubChem CID106994159
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC Name(2,6-dichloro-3-pyridinyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1ccc(Cl)nc1Cl)N1CCCC2(C1)OCCO2
InChIInChI=1S/C13H14Cl2N2O3/c14-10-3-2-9(11(15)16-10)12(18)17-5-1-4-13(8-17)19-6-7-20-13/h2-3H,1,4-8H2
InChIKeyOKCKPFWANKFKJU-UHFFFAOYSA-N
XLogP2.37
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103892687
(5-chlorofuran-2-yl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103845819
(2,6-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103890671
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone
CID 103860781
(3,5-dibromophenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103909366
(2,6-dichloro-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 106993810
1,4-dioxa-9-azaspiro[4.5]decan-9-yl(1,3-thiazol-5-yl)methanone
CID 103860774
(2,6-dichloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 113228669
(2,6-dichloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106994520
4-(2,6-dichloropyridine-3-carbonyl)-1,4-diazepan-2-one
CID 106994002
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-fluoro-3-pyridinyl)methanone
CID 113340544
(6-chloro-3-methyl-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 167911859

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-3-pyridinyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (2,6-dichloro-3-pyridinyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone (CID 106994159) is (2,6-dichloro-3-pyridinyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (2,6-dichloro-3-pyridinyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (2,6-dichloro-3-pyridinyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone is O=C(c1ccc(Cl)nc1Cl)N1CCCC2(C1)OCCO2.
What is the InChIKey of (2,6-dichloro-3-pyridinyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
The InChIKey is OKCKPFWANKFKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c14-10-3-2-9(11(15)16-10)12(18)17-5-1-4-13(8-17)19-6-7-20-13/h2-3H,1,4-8H2.
What are the key properties of (2,6-dichloro-3-pyridinyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
(2,6-dichloro-3-pyridinyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone has a molecular weight of 317.17 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-3-pyridinyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 106994159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).