3-[2-(3-chloro-4-pyridinyl)-2-oxoethyl]-5-methyl-1H-pyridin-2-one

C13H11ClN2O2 — CID 58148183

IUPAC3-[2-(3-chloro-4-pyridinyl)-2-oxoethyl]-5-methyl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(CC(=O)c2ccncc2Cl)c1
InChIInChI=1S/C13H11ClN2O2/c1-8-4-9(13(18)16-6-8)5-12(17)10-2-3-15-7-11(10)14/h2-4,6-7H,5H2,1H3,(H,16,18)
InChIKeyMHFYGSLZMIFMSW-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.16
Rot. Bonds3

About 3-[2-(3-chloro-4-pyridinyl)-2-oxoethyl]-5-methyl-1H-pyridin-2-one

3-[2-(3-chloro-4-pyridinyl)-2-oxoethyl]-5-methyl-1H-pyridin-2-one (PubChem CID 58148183) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 3-[2-(3-chloro-4-pyridinyl)-2-oxoethyl]-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2-(3-chloro-4-pyridinyl)-2-oxoethyl]-5-methyl-1H-pyridin-2-one
PubChem CID58148183
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name3-[2-(3-chloro-4-pyridinyl)-2-oxoethyl]-5-methyl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(CC(=O)c2ccncc2Cl)c1
InChIInChI=1S/C13H11ClN2O2/c1-8-4-9(13(18)16-6-8)5-12(17)10-2-3-15-7-11(10)14/h2-4,6-7H,5H2,1H3,(H,16,18)
InChIKeyMHFYGSLZMIFMSW-UHFFFAOYSA-N
XLogP2.16
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone
CID 105123580
2-(2-chloro-4-methylphenyl)-1-(4-methyl-3-pyridinyl)ethanone
CID 106867165
1-(3-chloro-4-pyridinyl)-2-phenylethanone
CID 105077956
2-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)ethanone
CID 105089516
1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655327
1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
CID 105126307
2-(2-chloro-4-methylphenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 106865544
1-(3-chloro-4-pyridinyl)-2-propan-2-yloxyethanone
CID 105117184
(3S)-1-(3-chloro-4-pyridinyl)-3-methylpentan-1-one
CID 97134527
1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-one
CID 114983965
2-(5-chloro-2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanone
CID 114877516
3-(3-chloro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 91551362

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chloro-4-pyridinyl)-2-oxoethyl]-5-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[2-(3-chloro-4-pyridinyl)-2-oxoethyl]-5-methyl-1H-pyridin-2-one (CID 58148183) is 3-[2-(3-chloro-4-pyridinyl)-2-oxoethyl]-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[2-(3-chloro-4-pyridinyl)-2-oxoethyl]-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[2-(3-chloro-4-pyridinyl)-2-oxoethyl]-5-methyl-1H-pyridin-2-one is Cc1c[nH]c(=O)c(CC(=O)c2ccncc2Cl)c1.
What is the InChIKey of 3-[2-(3-chloro-4-pyridinyl)-2-oxoethyl]-5-methyl-1H-pyridin-2-one?
The InChIKey is MHFYGSLZMIFMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-8-4-9(13(18)16-6-8)5-12(17)10-2-3-15-7-11(10)14/h2-4,6-7H,5H2,1H3,(H,16,18).
What are the key properties of 3-[2-(3-chloro-4-pyridinyl)-2-oxoethyl]-5-methyl-1H-pyridin-2-one?
3-[2-(3-chloro-4-pyridinyl)-2-oxoethyl]-5-methyl-1H-pyridin-2-one has a molecular weight of 262.70 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chloro-4-pyridinyl)-2-oxoethyl]-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 58148183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).