2-(2-chlorophenyl)-1-(3-methoxypyrazin-2-yl)ethanone

C13H11ClN2O2 — CID 113421495

IUPAC2-(2-chlorophenyl)-1-(3-methoxypyrazin-2-yl)ethanone
SMILESCOc1nccnc1C(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H11ClN2O2/c1-18-13-12(15-6-7-16-13)11(17)8-9-4-2-3-5-10(9)14/h2-7H,8H2,1H3
InChIKeyXTAXCTMAIPTUAY-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.56
Rot. Bonds4

About 2-(2-chlorophenyl)-1-(3-methoxypyrazin-2-yl)ethanone

2-(2-chlorophenyl)-1-(3-methoxypyrazin-2-yl)ethanone (PubChem CID 113421495) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(3-methoxypyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(3-methoxypyrazin-2-yl)ethanone
PubChem CID113421495
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name2-(2-chlorophenyl)-1-(3-methoxypyrazin-2-yl)ethanone
SMILESCOc1nccnc1C(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H11ClN2O2/c1-18-13-12(15-6-7-16-13)11(17)8-9-4-2-3-5-10(9)14/h2-7H,8H2,1H3
InChIKeyXTAXCTMAIPTUAY-UHFFFAOYSA-N
XLogP2.56
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-chlorophenyl)-1-(3-methoxypyrazin-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chlorophenoxy)-1-(3-methoxypyrazin-2-yl)ethanone
CID 105126893
1-(3-methoxypyrazin-2-yl)butane-1,3-dione
CID 55262325
1-(3-methoxypyrazin-2-yl)-2-(methylamino)ethanone
CID 116553732
2-(2-chlorophenyl)-1-pyrazin-2-ylethanone
CID 60799259
4-hydroxy-1-(3-methoxypyrazin-2-yl)butan-1-one
CID 106677606
3-(2-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 38535689
2-(2,4-dichlorophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105088380
3-methoxypyrazine-2-carboxylic acid
CID 22395692
1-(3-methoxypyrazin-2-yl)-4-methylpentan-1-one
CID 104514881
(4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 104514841
2-(2-amino-3-pyridinyl)-1-(3-chloro-2-pyridinyl)ethanone
CID 103443047
2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanone
CID 116588838

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(3-methoxypyrazin-2-yl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-(3-methoxypyrazin-2-yl)ethanone (CID 113421495) is 2-(2-chlorophenyl)-1-(3-methoxypyrazin-2-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(3-methoxypyrazin-2-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-(3-methoxypyrazin-2-yl)ethanone is COc1nccnc1C(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-(3-methoxypyrazin-2-yl)ethanone?
The InChIKey is XTAXCTMAIPTUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-18-13-12(15-6-7-16-13)11(17)8-9-4-2-3-5-10(9)14/h2-7H,8H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(3-methoxypyrazin-2-yl)ethanone?
2-(2-chlorophenyl)-1-(3-methoxypyrazin-2-yl)ethanone has a molecular weight of 262.70 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(3-methoxypyrazin-2-yl)ethanone is sourced from PubChem (CID 113421495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).