1-[3-chloro-5-(3-ethylphenyl)-2-pyridinyl]ethanone

C15H14ClNO — CID 176578359

IUPAC1-[3-chloro-5-(3-ethylphenyl)-2-pyridinyl]ethanone
SMILESCCc1cccc(-c2cnc(C(C)=O)c(Cl)c2)c1
InChIInChI=1S/C15H14ClNO/c1-3-11-5-4-6-12(7-11)13-8-14(16)15(10(2)18)17-9-13/h4-9H,3H2,1-2H3
InChIKeyXOBTUFFZPVCPLL-UHFFFAOYSA-N
MW259.74 g/mol
LogP4.17
Rot. Bonds3

About 1-[3-chloro-5-(3-ethylphenyl)-2-pyridinyl]ethanone

1-[3-chloro-5-(3-ethylphenyl)-2-pyridinyl]ethanone (PubChem CID 176578359) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 1-[3-chloro-5-(3-ethylphenyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-5-(3-ethylphenyl)-2-pyridinyl]ethanone
PubChem CID176578359
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name1-[3-chloro-5-(3-ethylphenyl)-2-pyridinyl]ethanone
SMILESCCc1cccc(-c2cnc(C(C)=O)c(Cl)c2)c1
InChIInChI=1S/C15H14ClNO/c1-3-11-5-4-6-12(7-11)13-8-14(16)15(10(2)18)17-9-13/h4-9H,3H2,1-2H3
InChIKeyXOBTUFFZPVCPLL-UHFFFAOYSA-N
XLogP4.17
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]ethanone
CID 176581839
3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane
CID 176581887
N-[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]acetamide
CID 176577162
ethane;methyl 5-(3-ethylphenyl)-3-methylpyridine-2-carboxylate;molecular hydrogen
CID 176579358
N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 176576687
methyl 5-(3-ethylphenyl)-3-(propan-2-ylamino)pyridine-2-carboxylate
CID 177118718
acetaldehyde;ethane;5-(3-ethylphenyl)-3-(methylamino)pyridine-2-carboxylic acid
CID 176575953
N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-morpholin-4-ylacetamide;ethane
CID 176577668
N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 176580213
N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide
CID 176580494
2-chloro-4-(3-ethylphenyl)aniline
CID 107607723
3-chloro-5-phenylpyridine-2-carbonyl chloride
CID 133097769

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(3-ethylphenyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[3-chloro-5-(3-ethylphenyl)-2-pyridinyl]ethanone (CID 176578359) is 1-[3-chloro-5-(3-ethylphenyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[3-chloro-5-(3-ethylphenyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[3-chloro-5-(3-ethylphenyl)-2-pyridinyl]ethanone is CCc1cccc(-c2cnc(C(C)=O)c(Cl)c2)c1.
What is the InChIKey of 1-[3-chloro-5-(3-ethylphenyl)-2-pyridinyl]ethanone?
The InChIKey is XOBTUFFZPVCPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-3-11-5-4-6-12(7-11)13-8-14(16)15(10(2)18)17-9-13/h4-9H,3H2,1-2H3.
What are the key properties of 1-[3-chloro-5-(3-ethylphenyl)-2-pyridinyl]ethanone?
1-[3-chloro-5-(3-ethylphenyl)-2-pyridinyl]ethanone has a molecular weight of 259.74 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(3-ethylphenyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 176578359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).