2-(3-chlorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;ethanamine

C15H15ClN4O3 — CID 67009309

IUPAC2-(3-chlorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;ethanamine
SMILESCCN.O=C(O)c1c[nH]c2ncc(Oc3cccc(Cl)c3)nc12
InChIInChI=1S/C13H8ClN3O3.C2H7N/c14-7-2-1-3-8(4-7)20-10-6-16-12-11(17-10)9(5-15-12)13(18)19;1-2-3/h1-6H,(H,15,16)(H,18,19);2-3H2,1H3
InChIKeyCBKGFYZGUGEZEL-UHFFFAOYSA-N
MW334.76 g/mol
LogP3.07
Rot. Bonds3

About 2-(3-chlorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;ethanamine

2-(3-chlorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;ethanamine (PubChem CID 67009309) has the molecular formula C15H15ClN4O3 and a molecular weight of 334.76 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;ethanamine
PubChem CID67009309
Molecular FormulaC15H15ClN4O3
Molecular Weight334.76 g/mol
Exact Mass334.08
IUPAC Name2-(3-chlorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;ethanamine
SMILESCCN.O=C(O)c1c[nH]c2ncc(Oc3cccc(Cl)c3)nc12
InChIInChI=1S/C13H8ClN3O3.C2H7N/c14-7-2-1-3-8(4-7)20-10-6-16-12-11(17-10)9(5-15-12)13(18)19;1-2-3/h1-6H,(H,15,16)(H,18,19);2-3H2,1H3
InChIKeyCBKGFYZGUGEZEL-UHFFFAOYSA-N
XLogP3.07
TPSA114.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;ethanamine?
The IUPAC name of 2-(3-chlorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;ethanamine (CID 67009309) is 2-(3-chlorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;ethanamine.
What is the SMILES notation for 2-(3-chlorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;ethanamine?
The canonical SMILES for 2-(3-chlorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;ethanamine is CCN.O=C(O)c1c[nH]c2ncc(Oc3cccc(Cl)c3)nc12.
What is the InChIKey of 2-(3-chlorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;ethanamine?
The InChIKey is CBKGFYZGUGEZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O3.C2H7N/c14-7-2-1-3-8(4-7)20-10-6-16-12-11(17-10)9(5-15-12)13(18)19;1-2-3/h1-6H,(H,15,16)(H,18,19);2-3H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;ethanamine?
2-(3-chlorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;ethanamine has a molecular weight of 334.76 g/mol, XLogP of 3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;ethanamine is sourced from PubChem (CID 67009309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).