3-(3-chloro-4-methylphenyl)-1H-pyrazin-2-one

C11H9ClN2O — CID 106520381

IUPAC3-(3-chloro-4-methylphenyl)-1H-pyrazin-2-one
SMILESCc1ccc(-c2ncc[nH]c2=O)cc1Cl
InChIInChI=1S/C11H9ClN2O/c1-7-2-3-8(6-9(7)12)10-11(15)14-5-4-13-10/h2-6H,1H3,(H,14,15)
InChIKeyRJHMFMQKCHGYKO-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.40
Rot. Bonds1

About 3-(3-chloro-4-methylphenyl)-1H-pyrazin-2-one

3-(3-chloro-4-methylphenyl)-1H-pyrazin-2-one (PubChem CID 106520381) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-1H-pyrazin-2-one
PubChem CID106520381
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name3-(3-chloro-4-methylphenyl)-1H-pyrazin-2-one
SMILESCc1ccc(-c2ncc[nH]c2=O)cc1Cl
InChIInChI=1S/C11H9ClN2O/c1-7-2-3-8(6-9(7)12)10-11(15)14-5-4-13-10/h2-6H,1H3,(H,14,15)
InChIKeyRJHMFMQKCHGYKO-UHFFFAOYSA-N
XLogP2.40
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylphenyl)-1H-pyrazin-2-one
CID 112558965
3-(2,4-dimethylphenyl)-1H-pyrazin-2-one
CID 112558964
3-(5-methylthiophen-3-yl)-1H-pyrazin-2-one
CID 106518527
4-(3-chloro-4-methylphenyl)-2H-phthalazin-1-one
CID 106520396
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazin-2-one
CID 112558898
3-(2-chloro-4-fluorophenyl)-1H-pyrazin-2-one
CID 106520984
3-pyrimidin-5-yl-1H-pyrazin-2-one
CID 106516220
4-(3-chloro-4-methylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one
CID 136769809
4-(3-chloro-4-methylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136955676
2-[1-(3-chloro-4-methylphenyl)ethenyl]-1H-imidazole
CID 66771333
4-(3-chloro-4-methylphenyl)pyridin-3-amine
CID 83166863
3-(2-methoxy-5-methylphenyl)-1H-pyrazin-2-one
CID 106517368

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-1H-pyrazin-2-one?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-1H-pyrazin-2-one (CID 106520381) is 3-(3-chloro-4-methylphenyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-1H-pyrazin-2-one is Cc1ccc(-c2ncc[nH]c2=O)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-1H-pyrazin-2-one?
The InChIKey is RJHMFMQKCHGYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-7-2-3-8(6-9(7)12)10-11(15)14-5-4-13-10/h2-6H,1H3,(H,14,15).
What are the key properties of 3-(3-chloro-4-methylphenyl)-1H-pyrazin-2-one?
3-(3-chloro-4-methylphenyl)-1H-pyrazin-2-one has a molecular weight of 220.66 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-1H-pyrazin-2-one is sourced from PubChem (CID 106520381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).