(3,5-dichloro-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone

C16H19Cl2NO2 — CID 79909721

IUPAC(3,5-dichloro-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(c1ncc(Cl)cc1Cl)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H19Cl2NO2/c17-12-8-13(18)14(19-10-12)15(20)11-4-7-21-16(9-11)5-2-1-3-6-16/h8,10-11H,1-7,9H2
InChIKeyMYGKQNKIVQUABL-UHFFFAOYSA-N
MW328.24 g/mol
LogP4.70
Rot. Bonds2

About (3,5-dichloro-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone

(3,5-dichloro-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone (PubChem CID 79909721) has the molecular formula C16H19Cl2NO2 and a molecular weight of 328.24 g/mol. Its IUPAC name is (3,5-dichloro-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dichloro-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
PubChem CID79909721
Molecular FormulaC16H19Cl2NO2
Molecular Weight328.24 g/mol
Exact Mass327.08
IUPAC Name(3,5-dichloro-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(c1ncc(Cl)cc1Cl)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H19Cl2NO2/c17-12-8-13(18)14(19-10-12)15(20)11-4-7-21-16(9-11)5-2-1-3-6-16/h8,10-11H,1-7,9H2
InChIKeyMYGKQNKIVQUABL-UHFFFAOYSA-N
XLogP4.70
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787260
cyclopropyl-(3,5-dichloro-2-pyridinyl)methanone
CID 79786695
(4-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912669
(3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912890
(5-bromo-2-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787252
6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone
CID 79912789
(2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79922324
(3,4-dichlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 81494502
(3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913940
(4,5-dibromothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787316
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
(3-chloro-4-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 79908902

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of (3,5-dichloro-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone (CID 79909721) is (3,5-dichloro-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for (3,5-dichloro-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for (3,5-dichloro-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone is O=C(c1ncc(Cl)cc1Cl)C1CCOC2(CCCCC2)C1.
What is the InChIKey of (3,5-dichloro-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is MYGKQNKIVQUABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO2/c17-12-8-13(18)14(19-10-12)15(20)11-4-7-21-16(9-11)5-2-1-3-6-16/h8,10-11H,1-7,9H2.
What are the key properties of (3,5-dichloro-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
(3,5-dichloro-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 328.24 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 79909721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).