1-(2-chloro-4-methylphenyl)-2-pyridin-2-ylethanone

C14H12ClNO — CID 106861656

IUPAC1-(2-chloro-4-methylphenyl)-2-pyridin-2-ylethanone
SMILESCc1ccc(C(=O)Cc2ccccn2)c(Cl)c1
InChIInChI=1S/C14H12ClNO/c1-10-5-6-12(13(15)8-10)14(17)9-11-4-2-3-7-16-11/h2-8H,9H2,1H3
InChIKeyZDTBUBZVDMSAAK-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.47
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)-2-pyridin-2-ylethanone

1-(2-chloro-4-methylphenyl)-2-pyridin-2-ylethanone (PubChem CID 106861656) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-2-pyridin-2-ylethanone
PubChem CID106861656
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name1-(2-chloro-4-methylphenyl)-2-pyridin-2-ylethanone
SMILESCc1ccc(C(=O)Cc2ccccn2)c(Cl)c1
InChIInChI=1S/C14H12ClNO/c1-10-5-6-12(13(15)8-10)14(17)9-11-4-2-3-7-16-11/h2-8H,9H2,1H3
InChIKeyZDTBUBZVDMSAAK-UHFFFAOYSA-N
XLogP3.47
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-2-(4-methylphenyl)ethanone
CID 106861498
1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone
CID 106861502
1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 106865109
1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanone
CID 102752303
1-(2-chloro-4-methylphenyl)propan-1-one
CID 103689347
5-methyl-2-(pyridin-2-ylmethyl)benzoic acid
CID 81111725
1-(2-iodophenyl)-2-pyridin-2-ylethanone
CID 43118474
1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone
CID 82769914
1-(2-chloro-4-methylphenyl)butan-1-one
CID 13175615
1-(2-chloro-4-methylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanone
CID 106865037
1-(2-chloro-4-methylphenyl)-3,3-dimethylbutan-1-one
CID 146009717
1-(2-chloro-4-methylphenyl)-2-(furan-3-yl)ethanone
CID 106865128

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-2-pyridin-2-ylethanone (CID 106861656) is 1-(2-chloro-4-methylphenyl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-2-pyridin-2-ylethanone is Cc1ccc(C(=O)Cc2ccccn2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-2-pyridin-2-ylethanone?
The InChIKey is ZDTBUBZVDMSAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c1-10-5-6-12(13(15)8-10)14(17)9-11-4-2-3-7-16-11/h2-8H,9H2,1H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-2-pyridin-2-ylethanone?
1-(2-chloro-4-methylphenyl)-2-pyridin-2-ylethanone has a molecular weight of 245.71 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 106861656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).