1-(3,5-dichloro-2-pyridinyl)decan-1-one

C15H21Cl2NO — CID 79786254

IUPAC1-(3,5-dichloro-2-pyridinyl)decan-1-one
SMILESCCCCCCCCCC(=O)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO/c1-2-3-4-5-6-7-8-9-14(19)15-13(17)10-12(16)11-18-15/h10-11H,2-9H2,1H3
InChIKeyUKLJWLOFZFBAKM-UHFFFAOYSA-N
MW302.24 g/mol
LogP5.71
Rot. Bonds9

About 1-(3,5-dichloro-2-pyridinyl)decan-1-one

1-(3,5-dichloro-2-pyridinyl)decan-1-one (PubChem CID 79786254) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)decan-1-one.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)decan-1-one
PubChem CID79786254
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC Name1-(3,5-dichloro-2-pyridinyl)decan-1-one
SMILESCCCCCCCCCC(=O)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO/c1-2-3-4-5-6-7-8-9-14(19)15-13(17)10-12(16)11-18-15/h10-11H,2-9H2,1H3
InChIKeyUKLJWLOFZFBAKM-UHFFFAOYSA-N
XLogP5.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.24
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3,5-dichloro-2-pyridinyl)-4-oxobutanoic acid
CID 79780666
1-(3,5-dichloro-2-pyridinyl)pent-4-yn-1-one
CID 79786948
1-(3,5-dichloro-2-hydroxyphenyl)octan-1-one
CID 21284637
1-(2,4-dichlorophenyl)hexan-1-one
CID 57230005
1-(2-chloro-4,5-dimethylphenyl)nonan-1-one
CID 115483569
1-(2-chlorophenyl)dodecan-1-one
CID 114963350
1-(5-chloro-2-fluorophenyl)octan-1-one
CID 114885192
1-(2-chloro-4,5-difluorophenyl)nonan-1-one
CID 107475835
1-(3,5-dichloro-2-pyridinyl)-3-thiophen-2-ylpropan-1-one
CID 79786683
1-(3,5-dichloro-2-pyridinyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 79786943
1-(5-bromo-3-chloro-2-pyridinyl)propan-1-one
CID 174823193
1-(4-chloro-2,5-difluorophenyl)undecan-1-one
CID 114968948

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)decan-1-one?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)decan-1-one (CID 79786254) is 1-(3,5-dichloro-2-pyridinyl)decan-1-one.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)decan-1-one?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)decan-1-one is CCCCCCCCCC(=O)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)decan-1-one?
The InChIKey is UKLJWLOFZFBAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-2-3-4-5-6-7-8-9-14(19)15-13(17)10-12(16)11-18-15/h10-11H,2-9H2,1H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)decan-1-one?
1-(3,5-dichloro-2-pyridinyl)decan-1-one has a molecular weight of 302.24 g/mol, XLogP of 5.71, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)decan-1-one is sourced from PubChem (CID 79786254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).