5-(2,6-dichloro-3-pyridinyl)-4-methylpentan-2-one

C11H13Cl2NO — CID 155376785

IUPAC5-(2,6-dichloro-3-pyridinyl)-4-methylpentan-2-one
SMILESCC(=O)CC(C)Cc1ccc(Cl)nc1Cl
InChIInChI=1S/C11H13Cl2NO/c1-7(5-8(2)15)6-9-3-4-10(12)14-11(9)13/h3-4,7H,5-6H2,1-2H3
InChIKeyYBNYVPMGHQOJKD-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.55
Rot. Bonds4

About 5-(2,6-dichloro-3-pyridinyl)-4-methylpentan-2-one

5-(2,6-dichloro-3-pyridinyl)-4-methylpentan-2-one (PubChem CID 155376785) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 5-(2,6-dichloro-3-pyridinyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name5-(2,6-dichloro-3-pyridinyl)-4-methylpentan-2-one
PubChem CID155376785
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name5-(2,6-dichloro-3-pyridinyl)-4-methylpentan-2-one
SMILESCC(=O)CC(C)Cc1ccc(Cl)nc1Cl
InChIInChI=1S/C11H13Cl2NO/c1-7(5-8(2)15)6-9-3-4-10(12)14-11(9)13/h3-4,7H,5-6H2,1-2H3
InChIKeyYBNYVPMGHQOJKD-UHFFFAOYSA-N
XLogP3.55
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(2,6-dichloro-3-pyridinyl)methylsulfanyl]butanoate
CID 106993407
(3R)-3-(cyclopentylamino)-1-(2,6-dichloro-3-pyridinyl)butan-2-one
CID 157251049
5-(3,5-dichlorophenyl)-4-methylpentan-2-one
CID 83924807
5-(5-tert-butyl-2-ethylphenyl)-4-methylpentan-2-one
CID 83927567
2-(2,6-dichloro-3-pyridinyl)-1-(4-methylphenyl)ethanone
CID 158567626
5-(3-chlorophenyl)-4-methylpentan-2-one
CID 64721392
4-methyl-5-(2,3,5,6-tetrachlorophenyl)pentan-2-one
CID 83925029
2,6-dichloro-3-propylpyridine
CID 23131294
2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]propan-1-ol
CID 106993926
N-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylpropan-2-amine
CID 106993484
5-(2-bromo-5-fluorophenyl)-4-methylpentan-2-one
CID 64720945
1-(2,6-dichloro-3-pyridinyl)-N-methylmethanamine
CID 22450421

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichloro-3-pyridinyl)-4-methylpentan-2-one?
The IUPAC name of 5-(2,6-dichloro-3-pyridinyl)-4-methylpentan-2-one (CID 155376785) is 5-(2,6-dichloro-3-pyridinyl)-4-methylpentan-2-one.
What is the SMILES notation for 5-(2,6-dichloro-3-pyridinyl)-4-methylpentan-2-one?
The canonical SMILES for 5-(2,6-dichloro-3-pyridinyl)-4-methylpentan-2-one is CC(=O)CC(C)Cc1ccc(Cl)nc1Cl.
What is the InChIKey of 5-(2,6-dichloro-3-pyridinyl)-4-methylpentan-2-one?
The InChIKey is YBNYVPMGHQOJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-7(5-8(2)15)6-9-3-4-10(12)14-11(9)13/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 5-(2,6-dichloro-3-pyridinyl)-4-methylpentan-2-one?
5-(2,6-dichloro-3-pyridinyl)-4-methylpentan-2-one has a molecular weight of 246.14 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichloro-3-pyridinyl)-4-methylpentan-2-one is sourced from PubChem (CID 155376785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).