1-[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]ethanone

C13H10ClFN2O — CID 116895367

IUPAC1-[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]ethanone
SMILESCC(=O)c1nc(C)cc(-c2cc(Cl)ccc2F)n1
InChIInChI=1S/C13H10ClFN2O/c1-7-5-12(17-13(16-7)8(2)18)10-6-9(14)3-4-11(10)15/h3-6H,1-2H3
InChIKeyBNWAESFCNKPTFB-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.45
Rot. Bonds2

About 1-[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]ethanone

1-[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]ethanone (PubChem CID 116895367) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is 1-[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]ethanone
PubChem CID116895367
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC Name1-[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]ethanone
SMILESCC(=O)c1nc(C)cc(-c2cc(Cl)ccc2F)n1
InChIInChI=1S/C13H10ClFN2O/c1-7-5-12(17-13(16-7)8(2)18)10-6-9(14)3-4-11(10)15/h3-6H,1-2H3
InChIKeyBNWAESFCNKPTFB-UHFFFAOYSA-N
XLogP3.45
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-fluoro-3-methylphenyl)-6-methylpyrimidin-2-yl]ethanone
CID 116895335
methyl 2-(5-chloro-2-fluorophenyl)-6-methylpyridine-4-carboxylate
CID 67469548
[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]methanamine
CID 82481340
1-[4-(5-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
CID 116867522
2-amino-6-(5-chloro-2-fluorophenyl)-4-methylpyridin-3-ol
CID 164546065
2-(2,5-dichlorophenyl)-6-methylpyridine-4-carboxylic acid
CID 118841905
4-(2-fluoro-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 56704999
1-[2-(4-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 55181555
1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890262
[4-(2,5-dichlorophenyl)-6-methylpyrimidin-2-yl]hydrazine
CID 82192453
1-(4-chloro-2-fluorophenyl)ethanone;ethane
CID 142194505
1-[4-chloro-2-(3,4,5-trifluorophenyl)phenyl]ethanone
CID 172651099

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]ethanone?
The IUPAC name of 1-[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]ethanone (CID 116895367) is 1-[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]ethanone.
What is the SMILES notation for 1-[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]ethanone?
The canonical SMILES for 1-[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]ethanone is CC(=O)c1nc(C)cc(-c2cc(Cl)ccc2F)n1.
What is the InChIKey of 1-[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]ethanone?
The InChIKey is BNWAESFCNKPTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c1-7-5-12(17-13(16-7)8(2)18)10-6-9(14)3-4-11(10)15/h3-6H,1-2H3.
What are the key properties of 1-[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]ethanone?
1-[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]ethanone has a molecular weight of 264.69 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]ethanone is sourced from PubChem (CID 116895367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).