3-(3-bromophenoxy)-5-chloro-6-ethylpyrazine-2-carboxamide

C13H11BrClN3O2 — CID 121285455

IUPAC3-(3-bromophenoxy)-5-chloro-6-ethylpyrazine-2-carboxamide
SMILESCCc1nc(C(N)=O)c(Oc2cccc(Br)c2)nc1Cl
InChIInChI=1S/C13H11BrClN3O2/c1-2-9-11(15)18-13(10(17-9)12(16)19)20-8-5-3-4-7(14)6-8/h3-6H,2H2,1H3,(H2,16,19)
InChIKeyZDXQMCFJKSNDFJ-UHFFFAOYSA-N
MW356.61 g/mol
LogP3.35
Rot. Bonds4

About 3-(3-bromophenoxy)-5-chloro-6-ethylpyrazine-2-carboxamide

3-(3-bromophenoxy)-5-chloro-6-ethylpyrazine-2-carboxamide (PubChem CID 121285455) has the molecular formula C13H11BrClN3O2 and a molecular weight of 356.61 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-5-chloro-6-ethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-5-chloro-6-ethylpyrazine-2-carboxamide
PubChem CID121285455
Molecular FormulaC13H11BrClN3O2
Molecular Weight356.61 g/mol
Exact Mass354.97
IUPAC Name3-(3-bromophenoxy)-5-chloro-6-ethylpyrazine-2-carboxamide
SMILESCCc1nc(C(N)=O)c(Oc2cccc(Br)c2)nc1Cl
InChIInChI=1S/C13H11BrClN3O2/c1-2-9-11(15)18-13(10(17-9)12(16)19)20-8-5-3-4-7(14)6-8/h3-6H,2H2,1H3,(H2,16,19)
InChIKeyZDXQMCFJKSNDFJ-UHFFFAOYSA-N
XLogP3.35
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.61
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromophenoxy)pyrazine-2-carboxamide
CID 62684983
3-anilino-5-chloro-6-ethylpyrazine-2-carboxamide
CID 155756328
4-(3-bromophenoxy)-6-chloro-5-methyl-2-propylpyrimidine
CID 80973920
2-(3-bromophenoxy)-6-chloropyridin-3-amine
CID 115474432
3-[3-(2-aminoethyl)anilino]-5-chloro-6-ethylpyrazine-2-carboxamide
CID 167487007
N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 55058464
ethyl 5-(3-chlorophenoxy)-3-phenyl-1,2,4-triazine-6-carboxylate
CID 71228253
ethyl 2-(3-bromophenoxy)pyridine-4-carboxylate
CID 169336832
1-[5-(3-bromophenoxy)-2-pyridinyl]propan-1-one
CID 112583808
ethyl (2S)-2-(3-bromophenoxy)butanoate
CID 40628551
[3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone
CID 22494542
2-(3-bromophenoxy)ethyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 16577213

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-5-chloro-6-ethylpyrazine-2-carboxamide?
The IUPAC name of 3-(3-bromophenoxy)-5-chloro-6-ethylpyrazine-2-carboxamide (CID 121285455) is 3-(3-bromophenoxy)-5-chloro-6-ethylpyrazine-2-carboxamide.
What is the SMILES notation for 3-(3-bromophenoxy)-5-chloro-6-ethylpyrazine-2-carboxamide?
The canonical SMILES for 3-(3-bromophenoxy)-5-chloro-6-ethylpyrazine-2-carboxamide is CCc1nc(C(N)=O)c(Oc2cccc(Br)c2)nc1Cl.
What is the InChIKey of 3-(3-bromophenoxy)-5-chloro-6-ethylpyrazine-2-carboxamide?
The InChIKey is ZDXQMCFJKSNDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O2/c1-2-9-11(15)18-13(10(17-9)12(16)19)20-8-5-3-4-7(14)6-8/h3-6H,2H2,1H3,(H2,16,19).
What are the key properties of 3-(3-bromophenoxy)-5-chloro-6-ethylpyrazine-2-carboxamide?
3-(3-bromophenoxy)-5-chloro-6-ethylpyrazine-2-carboxamide has a molecular weight of 356.61 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-5-chloro-6-ethylpyrazine-2-carboxamide is sourced from PubChem (CID 121285455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).