1-(3-chlorophenyl)-2-(5-pyridin-2-ylpyrimidin-2-yl)ethanone

C17H12ClN3O — CID 161392627

IUPAC1-(3-chlorophenyl)-2-(5-pyridin-2-ylpyrimidin-2-yl)ethanone
SMILESO=C(Cc1ncc(-c2ccccn2)cn1)c1cccc(Cl)c1
InChIInChI=1S/C17H12ClN3O/c18-14-5-3-4-12(8-14)16(22)9-17-20-10-13(11-21-17)15-6-1-2-7-19-15/h1-8,10-11H,9H2
InChIKeyVTELXYBBMVHWAK-UHFFFAOYSA-N
MW309.76 g/mol
LogP3.62
Rot. Bonds4

About 1-(3-chlorophenyl)-2-(5-pyridin-2-ylpyrimidin-2-yl)ethanone

1-(3-chlorophenyl)-2-(5-pyridin-2-ylpyrimidin-2-yl)ethanone (PubChem CID 161392627) has the molecular formula C17H12ClN3O and a molecular weight of 309.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(5-pyridin-2-ylpyrimidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(5-pyridin-2-ylpyrimidin-2-yl)ethanone
PubChem CID161392627
Molecular FormulaC17H12ClN3O
Molecular Weight309.76 g/mol
Exact Mass309.07
IUPAC Name1-(3-chlorophenyl)-2-(5-pyridin-2-ylpyrimidin-2-yl)ethanone
SMILESO=C(Cc1ncc(-c2ccccn2)cn1)c1cccc(Cl)c1
InChIInChI=1S/C17H12ClN3O/c18-14-5-3-4-12(8-14)16(22)9-17-20-10-13(11-21-17)15-6-1-2-7-19-15/h1-8,10-11H,9H2
InChIKeyVTELXYBBMVHWAK-UHFFFAOYSA-N
XLogP3.62
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(3-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
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1-(3-chlorophenyl)-2-(4-ethylphenyl)ethanone
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1-(3-chlorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
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2-(chloroamino)-1-(3-chlorophenyl)ethanone
CID 126496293
1-(3-chlorophenyl)-2-naphthalen-2-ylethanone
CID 63528199
2-(2,3-dichloro-4-pyridinyl)-1-(3-fluorophenyl)ethanone
CID 57178759
3-pyridin-2-ylbenzoate
CID 7020368
2-(4-aminophenyl)-1-(3-chlorophenyl)ethanone
CID 116549576
1-(3-methylphenyl)-2-(2-pyridin-2-ylphenyl)ethanone
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2-(3-chlorophenyl)-2-oxoethanesulfonic acid
CID 115040558

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(5-pyridin-2-ylpyrimidin-2-yl)ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-(5-pyridin-2-ylpyrimidin-2-yl)ethanone (CID 161392627) is 1-(3-chlorophenyl)-2-(5-pyridin-2-ylpyrimidin-2-yl)ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(5-pyridin-2-ylpyrimidin-2-yl)ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-(5-pyridin-2-ylpyrimidin-2-yl)ethanone is O=C(Cc1ncc(-c2ccccn2)cn1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(5-pyridin-2-ylpyrimidin-2-yl)ethanone?
The InChIKey is VTELXYBBMVHWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O/c18-14-5-3-4-12(8-14)16(22)9-17-20-10-13(11-21-17)15-6-1-2-7-19-15/h1-8,10-11H,9H2.
What are the key properties of 1-(3-chlorophenyl)-2-(5-pyridin-2-ylpyrimidin-2-yl)ethanone?
1-(3-chlorophenyl)-2-(5-pyridin-2-ylpyrimidin-2-yl)ethanone has a molecular weight of 309.76 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(5-pyridin-2-ylpyrimidin-2-yl)ethanone is sourced from PubChem (CID 161392627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).