(3,4-dichlorophenyl)methyl pyrazine-2-carboxylate

C12H8Cl2N2O2 — CID 891422

IUPAC(3,4-dichlorophenyl)methyl pyrazine-2-carboxylate
SMILESO=C(OCc1ccc(Cl)c(Cl)c1)c1cnccn1
InChIInChI=1S/C12H8Cl2N2O2/c13-9-2-1-8(5-10(9)14)7-18-12(17)11-6-15-3-4-16-11/h1-6H,7H2
InChIKeyRWWXRAMNQBIQEC-UHFFFAOYSA-N
MW283.11 g/mol
LogP3.14
Rot. Bonds3

About (3,4-dichlorophenyl)methyl pyrazine-2-carboxylate

(3,4-dichlorophenyl)methyl pyrazine-2-carboxylate (PubChem CID 891422) has the molecular formula C12H8Cl2N2O2 and a molecular weight of 283.11 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl pyrazine-2-carboxylate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl pyrazine-2-carboxylate
PubChem CID891422
Molecular FormulaC12H8Cl2N2O2
Molecular Weight283.11 g/mol
Exact Mass282.00
IUPAC Name(3,4-dichlorophenyl)methyl pyrazine-2-carboxylate
SMILESO=C(OCc1ccc(Cl)c(Cl)c1)c1cnccn1
InChIInChI=1S/C12H8Cl2N2O2/c13-9-2-1-8(5-10(9)14)7-18-12(17)11-6-15-3-4-16-11/h1-6H,7H2
InChIKeyRWWXRAMNQBIQEC-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl pyrazine-2-carboxylate?
The IUPAC name of (3,4-dichlorophenyl)methyl pyrazine-2-carboxylate (CID 891422) is (3,4-dichlorophenyl)methyl pyrazine-2-carboxylate.
What is the SMILES notation for (3,4-dichlorophenyl)methyl pyrazine-2-carboxylate?
The canonical SMILES for (3,4-dichlorophenyl)methyl pyrazine-2-carboxylate is O=C(OCc1ccc(Cl)c(Cl)c1)c1cnccn1.
What is the InChIKey of (3,4-dichlorophenyl)methyl pyrazine-2-carboxylate?
The InChIKey is RWWXRAMNQBIQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O2/c13-9-2-1-8(5-10(9)14)7-18-12(17)11-6-15-3-4-16-11/h1-6H,7H2.
What are the key properties of (3,4-dichlorophenyl)methyl pyrazine-2-carboxylate?
(3,4-dichlorophenyl)methyl pyrazine-2-carboxylate has a molecular weight of 283.11 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl pyrazine-2-carboxylate is sourced from PubChem (CID 891422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).