1-[2-(2-chloropyrimidin-4-yl)phenyl]ethanone

C12H9ClN2O — CID 24901838

IUPAC1-[2-(2-chloropyrimidin-4-yl)phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1ccnc(Cl)n1
InChIInChI=1S/C12H9ClN2O/c1-8(16)9-4-2-3-5-10(9)11-6-7-14-12(13)15-11/h2-7H,1H3
InChIKeyQEWYDXMJDQYCAS-UHFFFAOYSA-N
MW232.67 g/mol
LogP3.00
Rot. Bonds2

About 1-[2-(2-chloropyrimidin-4-yl)phenyl]ethanone

1-[2-(2-chloropyrimidin-4-yl)phenyl]ethanone (PubChem CID 24901838) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 1-[2-(2-chloropyrimidin-4-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-chloropyrimidin-4-yl)phenyl]ethanone
PubChem CID24901838
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name1-[2-(2-chloropyrimidin-4-yl)phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1ccnc(Cl)n1
InChIInChI=1S/C12H9ClN2O/c1-8(16)9-4-2-3-5-10(9)11-6-7-14-12(13)15-11/h2-7H,1H3
InChIKeyQEWYDXMJDQYCAS-UHFFFAOYSA-N
XLogP3.00
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-chloropyrimidin-4-yl)-2-fluorophenyl]ethanone
CID 24901971
1-(2-pyrimidin-2-ylphenyl)ethanone
CID 55262820
1-(2-quinoxalin-2-ylphenyl)ethanone
CID 163871254
2-(2-acetylphenyl)pyridine-4-carbonitrile
CID 39782180
methyl 3-(2-chloropyrimidin-4-yl)-1H-indole-7-carboxylate
CID 155176377
N-[4-(2-chloropyrimidin-4-yl)-3-methylphenyl]acetamide;ethane
CID 145490179
2-chloro-4-(2,3-difluorophenyl)pyrimidine
CID 24901991
2-chloro-4-(2-phenoxyphenyl)pyrimidine
CID 24901901
3-[(1S)-1-[[4-(2-acetylphenyl)pyrimidin-2-yl]amino]ethyl]-6-chloro-1H-quinolin-2-one
CID 118953901
3-[1-[[4-(2-acetylphenyl)pyrimidin-2-yl]amino]ethyl]-6-chloro-1H-quinolin-2-one
CID 146221782
1-[4-(2-acetylphenyl)phenyl]ethanone
CID 11207145
1-[2-(2-chloro-4-fluorophenyl)phenyl]ethanone
CID 115504911

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloropyrimidin-4-yl)phenyl]ethanone?
The IUPAC name of 1-[2-(2-chloropyrimidin-4-yl)phenyl]ethanone (CID 24901838) is 1-[2-(2-chloropyrimidin-4-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(2-chloropyrimidin-4-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-(2-chloropyrimidin-4-yl)phenyl]ethanone is CC(=O)c1ccccc1-c1ccnc(Cl)n1.
What is the InChIKey of 1-[2-(2-chloropyrimidin-4-yl)phenyl]ethanone?
The InChIKey is QEWYDXMJDQYCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c1-8(16)9-4-2-3-5-10(9)11-6-7-14-12(13)15-11/h2-7H,1H3.
What are the key properties of 1-[2-(2-chloropyrimidin-4-yl)phenyl]ethanone?
1-[2-(2-chloropyrimidin-4-yl)phenyl]ethanone has a molecular weight of 232.67 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloropyrimidin-4-yl)phenyl]ethanone is sourced from PubChem (CID 24901838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).