(2,3-dichlorophenyl) 2-pyrazin-2-ylacetate

C12H8Cl2N2O2 — CID 174964447

IUPAC(2,3-dichlorophenyl) 2-pyrazin-2-ylacetate
SMILESO=C(Cc1cnccn1)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C12H8Cl2N2O2/c13-9-2-1-3-10(12(9)14)18-11(17)6-8-7-15-4-5-16-8/h1-5,7H,6H2
InChIKeyINZDMTQBCIZSFM-UHFFFAOYSA-N
MW283.11 g/mol
LogP2.93
Rot. Bonds3

About (2,3-dichlorophenyl) 2-pyrazin-2-ylacetate

(2,3-dichlorophenyl) 2-pyrazin-2-ylacetate (PubChem CID 174964447) has the molecular formula C12H8Cl2N2O2 and a molecular weight of 283.11 g/mol. Its IUPAC name is (2,3-dichlorophenyl) 2-pyrazin-2-ylacetate.

Molecular Properties

Compound Name(2,3-dichlorophenyl) 2-pyrazin-2-ylacetate
PubChem CID174964447
Molecular FormulaC12H8Cl2N2O2
Molecular Weight283.11 g/mol
Exact Mass282.00
IUPAC Name(2,3-dichlorophenyl) 2-pyrazin-2-ylacetate
SMILESO=C(Cc1cnccn1)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C12H8Cl2N2O2/c13-9-2-1-3-10(12(9)14)18-11(17)6-8-7-15-4-5-16-8/h1-5,7H,6H2
InChIKeyINZDMTQBCIZSFM-UHFFFAOYSA-N
XLogP2.93
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2,3-dichlorophenyl) 2-bromoacetate
CID 91723900
4-O-(2,3-dichlorophenyl) 1-O-phenyl butanedioate
CID 91726923
2-(2,3-dichlorophenyl)-1-pyrazin-2-ylethanone
CID 107307824
1,4-di(pyrazin-2-yl)butane-2,3-dione
CID 57316761
2-pyrazin-2-ylacetic acid
CID 19797048
2-(2,3-dichlorophenoxy)-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide
CID 119037053
N-[(4-chlorophenyl)-phenylmethyl]-2-pyrazin-2-ylacetamide
CID 119052114
(2,3-dichlorophenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 3580698
2-chloro-3-(pyrazin-2-ylmethyl)benzenethiol
CID 165043263
(2,3-dichlorophenyl)-pyrazin-2-ylmethanone
CID 62790951
(2,3-dichlorophenyl) 2,3-dichlorobenzoate
CID 68641846
3-[2-(2,3-dichlorophenoxy)propanoylamino]-N-pyrazin-2-ylbenzamide
CID 47090619

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl) 2-pyrazin-2-ylacetate?
The IUPAC name of (2,3-dichlorophenyl) 2-pyrazin-2-ylacetate (CID 174964447) is (2,3-dichlorophenyl) 2-pyrazin-2-ylacetate.
What is the SMILES notation for (2,3-dichlorophenyl) 2-pyrazin-2-ylacetate?
The canonical SMILES for (2,3-dichlorophenyl) 2-pyrazin-2-ylacetate is O=C(Cc1cnccn1)Oc1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl) 2-pyrazin-2-ylacetate?
The InChIKey is INZDMTQBCIZSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O2/c13-9-2-1-3-10(12(9)14)18-11(17)6-8-7-15-4-5-16-8/h1-5,7H,6H2.
What are the key properties of (2,3-dichlorophenyl) 2-pyrazin-2-ylacetate?
(2,3-dichlorophenyl) 2-pyrazin-2-ylacetate has a molecular weight of 283.11 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl) 2-pyrazin-2-ylacetate is sourced from PubChem (CID 174964447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).