1-(3,5-dichloro-2-pyridinyl)-2-(oxan-4-yl)ethanone

C12H13Cl2NO2 — CID 79785846

IUPAC1-(3,5-dichloro-2-pyridinyl)-2-(oxan-4-yl)ethanone
SMILESO=C(CC1CCOCC1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2NO2/c13-9-6-10(14)12(15-7-9)11(16)5-8-1-3-17-4-2-8/h6-8H,1-5H2
InChIKeyPQMRFZHIOWXTCB-UHFFFAOYSA-N
MW274.15 g/mol
LogP3.39
Rot. Bonds3

About 1-(3,5-dichloro-2-pyridinyl)-2-(oxan-4-yl)ethanone

1-(3,5-dichloro-2-pyridinyl)-2-(oxan-4-yl)ethanone (PubChem CID 79785846) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-2-(oxan-4-yl)ethanone
PubChem CID79785846
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-2-(oxan-4-yl)ethanone
SMILESO=C(CC1CCOCC1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2NO2/c13-9-6-10(14)12(15-7-9)11(16)5-8-1-3-17-4-2-8/h6-8H,1-5H2
InChIKeyPQMRFZHIOWXTCB-UHFFFAOYSA-N
XLogP3.39
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-dichloro-2-pyridinyl)-2-(oxan-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-amino-3,5-dichlorophenyl)-2-(oxan-4-yl)ethanone
CID 116609881
1-(3-chloro-4-fluorophenyl)-2-(oxan-4-yl)ethanone
CID 55181010
cyclopropyl-(3,5-dichloro-2-pyridinyl)methanone
CID 79786695
4-(3,5-dichloro-2-pyridinyl)-4-oxobutanoic acid
CID 79780666
2-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172899893
1-(3-chloro-5-methylphenyl)-2-(oxan-4-yl)ethanone
CID 114969186
1-(2-amino-4-chlorophenyl)-2-(oxan-4-yl)ethanone
CID 64915585
1-(3,5-dichloro-2-pyridinyl)pent-4-yn-1-one
CID 79786948
1-(3,4-dichlorophenyl)-3-(oxan-4-yl)propan-2-one
CID 62622306
1-(5-methylfuran-3-yl)-2-(oxan-4-yl)ethanone
CID 114969173
(3,5-dichloro-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79909721
1-(5-chloro-2-methoxyphenyl)-2-(oxan-4-yl)ethanone
CID 114969178

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-2-(oxan-4-yl)ethanone (CID 79785846) is 1-(3,5-dichloro-2-pyridinyl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-2-(oxan-4-yl)ethanone is O=C(CC1CCOCC1)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-2-(oxan-4-yl)ethanone?
The InChIKey is PQMRFZHIOWXTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c13-9-6-10(14)12(15-7-9)11(16)5-8-1-3-17-4-2-8/h6-8H,1-5H2.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-2-(oxan-4-yl)ethanone?
1-(3,5-dichloro-2-pyridinyl)-2-(oxan-4-yl)ethanone has a molecular weight of 274.15 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 79785846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).