2-(2,3-dichlorophenyl)-1-pyrazin-2-ylethanone

C12H8Cl2N2O — CID 107307824

IUPAC2-(2,3-dichlorophenyl)-1-pyrazin-2-ylethanone
SMILESO=C(Cc1cccc(Cl)c1Cl)c1cnccn1
InChIInChI=1S/C12H8Cl2N2O/c13-9-3-1-2-8(12(9)14)6-11(17)10-7-15-4-5-16-10/h1-5,7H,6H2
InChIKeyCBDSTIYPZUQMSU-UHFFFAOYSA-N
MW267.12 g/mol
LogP3.21
Rot. Bonds3

About 2-(2,3-dichlorophenyl)-1-pyrazin-2-ylethanone

2-(2,3-dichlorophenyl)-1-pyrazin-2-ylethanone (PubChem CID 107307824) has the molecular formula C12H8Cl2N2O and a molecular weight of 267.12 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-pyrazin-2-ylethanone.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-pyrazin-2-ylethanone
PubChem CID107307824
Molecular FormulaC12H8Cl2N2O
Molecular Weight267.12 g/mol
Exact Mass266.00
IUPAC Name2-(2,3-dichlorophenyl)-1-pyrazin-2-ylethanone
SMILESO=C(Cc1cccc(Cl)c1Cl)c1cnccn1
InChIInChI=1S/C12H8Cl2N2O/c13-9-3-1-2-8(12(9)14)6-11(17)10-7-15-4-5-16-10/h1-5,7H,6H2
InChIKeyCBDSTIYPZUQMSU-UHFFFAOYSA-N
XLogP3.21
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-1-pyrazin-2-ylethanone
CID 60799259
2-(2,3-difluorophenyl)-1-pyrazin-2-ylethanone
CID 62621724
(2,3-dichlorophenyl)-pyrazin-2-ylmethanone
CID 62790951
2-(2,3-dichlorophenyl)-1-(3-fluoro-4-pyridinyl)ethanone
CID 107307992
1-(2-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307846
2-(2,3-dichlorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 107311523
(2,3-dichlorophenyl) 2-pyrazin-2-ylacetate
CID 174964447
2-(2,3-dichlorophenyl)-1-quinolin-8-ylethanone
CID 107311695
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-pyrazin-2-ylmethanone
CID 27563231
(2-chloro-6-fluorophenyl)methyl pyrazine-2-carboxylate
CID 977894
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide
CID 108542988
2-pyrazin-2-yl-1-pyridin-2-ylethanone
CID 3739313

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-pyrazin-2-ylethanone?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-pyrazin-2-ylethanone (CID 107307824) is 2-(2,3-dichlorophenyl)-1-pyrazin-2-ylethanone.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-pyrazin-2-ylethanone?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-pyrazin-2-ylethanone is O=C(Cc1cccc(Cl)c1Cl)c1cnccn1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-pyrazin-2-ylethanone?
The InChIKey is CBDSTIYPZUQMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O/c13-9-3-1-2-8(12(9)14)6-11(17)10-7-15-4-5-16-10/h1-5,7H,6H2.
What are the key properties of 2-(2,3-dichlorophenyl)-1-pyrazin-2-ylethanone?
2-(2,3-dichlorophenyl)-1-pyrazin-2-ylethanone has a molecular weight of 267.12 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-pyrazin-2-ylethanone is sourced from PubChem (CID 107307824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).