4-(2,6-dichloro-4-methoxy-3-pyridinyl)-3-methylbutan-2-one

C11H13Cl2NO2 — CID 146433190

IUPAC4-(2,6-dichloro-4-methoxy-3-pyridinyl)-3-methylbutan-2-one
SMILESCOc1cc(Cl)nc(Cl)c1CC(C)C(C)=O
InChIInChI=1S/C11H13Cl2NO2/c1-6(7(2)15)4-8-9(16-3)5-10(12)14-11(8)13/h5-6H,4H2,1-3H3
InChIKeyKLYSYYCFKBQEHB-UHFFFAOYSA-N
MW262.14 g/mol
LogP3.16
Rot. Bonds4

About 4-(2,6-dichloro-4-methoxy-3-pyridinyl)-3-methylbutan-2-one

4-(2,6-dichloro-4-methoxy-3-pyridinyl)-3-methylbutan-2-one (PubChem CID 146433190) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 4-(2,6-dichloro-4-methoxy-3-pyridinyl)-3-methylbutan-2-one.

Molecular Properties

Compound Name4-(2,6-dichloro-4-methoxy-3-pyridinyl)-3-methylbutan-2-one
PubChem CID146433190
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name4-(2,6-dichloro-4-methoxy-3-pyridinyl)-3-methylbutan-2-one
SMILESCOc1cc(Cl)nc(Cl)c1CC(C)C(C)=O
InChIInChI=1S/C11H13Cl2NO2/c1-6(7(2)15)4-8-9(16-3)5-10(12)14-11(8)13/h5-6H,4H2,1-3H3
InChIKeyKLYSYYCFKBQEHB-UHFFFAOYSA-N
XLogP3.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-4-methoxy-3-propan-2-ylpyridine
CID 146431908
tert-butyl N-[4-(2,6-dichloro-4-methoxy-3-pyridinyl)butan-2-yl]carbamate;4-(2,6-dichloro-4-methoxy-3-pyridinyl)butan-2-amine;hydrochloride
CID 159513152
2,6-dichloro-3-ethylpyridine-4-carboxylic acid
CID 87771244
(3S)-4-[(3,5-dichloropyrazin-2-yl)amino]-3-methylbutan-2-one
CID 135363122
3-chloro-4-(4-chloro-2,5-dimethoxyphenyl)butan-2-one
CID 83969938
3-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-methylpropanoic acid
CID 117416056
methyl 3-(4,6-dichloropyrimidin-5-yl)-2-methylpropanoate
CID 154663198
[4-methoxy-2-[(2S)-2-methyl-3-oxobutyl]phenyl] acetate
CID 132990171
5-(2,6-dichloro-3-pyridinyl)-4-methylpentan-2-one
CID 155376785
3-methyl-4-[4-(2-methyl-3-oxobutyl)phenyl]butan-2-one
CID 19020081
4-(2,5-dichlorophenyl)-3-methylbutan-2-one
CID 65316691
3-[(3,4-dimethoxyphenyl)methyl]pentane-2,4-dione
CID 137479905

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichloro-4-methoxy-3-pyridinyl)-3-methylbutan-2-one?
The IUPAC name of 4-(2,6-dichloro-4-methoxy-3-pyridinyl)-3-methylbutan-2-one (CID 146433190) is 4-(2,6-dichloro-4-methoxy-3-pyridinyl)-3-methylbutan-2-one.
What is the SMILES notation for 4-(2,6-dichloro-4-methoxy-3-pyridinyl)-3-methylbutan-2-one?
The canonical SMILES for 4-(2,6-dichloro-4-methoxy-3-pyridinyl)-3-methylbutan-2-one is COc1cc(Cl)nc(Cl)c1CC(C)C(C)=O.
What is the InChIKey of 4-(2,6-dichloro-4-methoxy-3-pyridinyl)-3-methylbutan-2-one?
The InChIKey is KLYSYYCFKBQEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-6(7(2)15)4-8-9(16-3)5-10(12)14-11(8)13/h5-6H,4H2,1-3H3.
What are the key properties of 4-(2,6-dichloro-4-methoxy-3-pyridinyl)-3-methylbutan-2-one?
4-(2,6-dichloro-4-methoxy-3-pyridinyl)-3-methylbutan-2-one has a molecular weight of 262.14 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichloro-4-methoxy-3-pyridinyl)-3-methylbutan-2-one is sourced from PubChem (CID 146433190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).