(2-bromophenyl)methyl 6-chloropyrazine-2-carboxylate

C12H8BrClN2O2 — CID 106547527

IUPAC(2-bromophenyl)methyl 6-chloropyrazine-2-carboxylate
SMILESO=C(OCc1ccccc1Br)c1cncc(Cl)n1
InChIInChI=1S/C12H8BrClN2O2/c13-9-4-2-1-3-8(9)7-18-12(17)10-5-15-6-11(14)16-10/h1-6H,7H2
InChIKeyFFKSLDQVPXRAEN-UHFFFAOYSA-N
MW327.57 g/mol
LogP3.25
Rot. Bonds3

About (2-bromophenyl)methyl 6-chloropyrazine-2-carboxylate

(2-bromophenyl)methyl 6-chloropyrazine-2-carboxylate (PubChem CID 106547527) has the molecular formula C12H8BrClN2O2 and a molecular weight of 327.57 g/mol. Its IUPAC name is (2-bromophenyl)methyl 6-chloropyrazine-2-carboxylate.

Molecular Properties

Compound Name(2-bromophenyl)methyl 6-chloropyrazine-2-carboxylate
PubChem CID106547527
Molecular FormulaC12H8BrClN2O2
Molecular Weight327.57 g/mol
Exact Mass325.95
IUPAC Name(2-bromophenyl)methyl 6-chloropyrazine-2-carboxylate
SMILESO=C(OCc1ccccc1Br)c1cncc(Cl)n1
InChIInChI=1S/C12H8BrClN2O2/c13-9-4-2-1-3-8(9)7-18-12(17)10-5-15-6-11(14)16-10/h1-6H,7H2
InChIKeyFFKSLDQVPXRAEN-UHFFFAOYSA-N
XLogP3.25
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.57
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluorophenyl)methyl 6-chloropyrazine-2-carboxylate
CID 106547525
(2-bromophenyl)methyl 4-chlorobenzoate
CID 102346194
(2-bromophenyl)methyl 6-aminopyridine-3-carboxylate
CID 82824568
(2-bromophenyl)methyl (2S)-2-aminopropanoate
CID 82823528
(2-bromophenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135775
2-thiophen-2-ylethyl 6-chloropyrazine-2-carboxylate
CID 106547524
(2-bromophenyl)methyl 2-aminopyridine-4-carboxylate
CID 82824073
(2-chlorophenyl)methyl 6-chloropyridazine-3-carboxylate
CID 63840334
(2-bromophenyl)methyl 2-benzylbenzoate
CID 7809558
(2-bromophenyl)methyl 2-amino-4-hydroxybutanoate
CID 82823628
(2-bromophenyl)methyl 3-sulfanylbenzoate
CID 107019010
(2-bromophenyl)methyl 2-(2-nitrophenyl)acetate
CID 55316012

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methyl 6-chloropyrazine-2-carboxylate?
The IUPAC name of (2-bromophenyl)methyl 6-chloropyrazine-2-carboxylate (CID 106547527) is (2-bromophenyl)methyl 6-chloropyrazine-2-carboxylate.
What is the SMILES notation for (2-bromophenyl)methyl 6-chloropyrazine-2-carboxylate?
The canonical SMILES for (2-bromophenyl)methyl 6-chloropyrazine-2-carboxylate is O=C(OCc1ccccc1Br)c1cncc(Cl)n1.
What is the InChIKey of (2-bromophenyl)methyl 6-chloropyrazine-2-carboxylate?
The InChIKey is FFKSLDQVPXRAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O2/c13-9-4-2-1-3-8(9)7-18-12(17)10-5-15-6-11(14)16-10/h1-6H,7H2.
What are the key properties of (2-bromophenyl)methyl 6-chloropyrazine-2-carboxylate?
(2-bromophenyl)methyl 6-chloropyrazine-2-carboxylate has a molecular weight of 327.57 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methyl 6-chloropyrazine-2-carboxylate is sourced from PubChem (CID 106547527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).