2-chloro-3-[2-(3-methoxyphenyl)ethynyl]pyrido[2,3-b]pyrazine

C16H10ClN3O — CID 56682081

IUPAC2-chloro-3-[2-(3-methoxyphenyl)ethynyl]pyrido[2,3-b]pyrazine
SMILESCOc1cccc(C#Cc2nc3ncccc3nc2Cl)c1
InChIInChI=1S/C16H10ClN3O/c1-21-12-5-2-4-11(10-12)7-8-13-15(17)19-14-6-3-9-18-16(14)20-13/h2-6,9-10H,1H3
InChIKeyRGVKQNKUFYYKBJ-UHFFFAOYSA-N
MW295.73 g/mol
LogP3.09
Rot. Bonds1

About 2-chloro-3-[2-(3-methoxyphenyl)ethynyl]pyrido[2,3-b]pyrazine

2-chloro-3-[2-(3-methoxyphenyl)ethynyl]pyrido[2,3-b]pyrazine (PubChem CID 56682081) has the molecular formula C16H10ClN3O and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-chloro-3-[2-(3-methoxyphenyl)ethynyl]pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name2-chloro-3-[2-(3-methoxyphenyl)ethynyl]pyrido[2,3-b]pyrazine
PubChem CID56682081
Molecular FormulaC16H10ClN3O
Molecular Weight295.73 g/mol
Exact Mass295.05
IUPAC Name2-chloro-3-[2-(3-methoxyphenyl)ethynyl]pyrido[2,3-b]pyrazine
SMILESCOc1cccc(C#Cc2nc3ncccc3nc2Cl)c1
InChIInChI=1S/C16H10ClN3O/c1-21-12-5-2-4-11(10-12)7-8-13-15(17)19-14-6-3-9-18-16(14)20-13/h2-6,9-10H,1H3
InChIKeyRGVKQNKUFYYKBJ-UHFFFAOYSA-N
XLogP3.09
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[2-(3-methoxyphenyl)ethynyl]pyrido[2,3-b]pyrazine?
The IUPAC name of 2-chloro-3-[2-(3-methoxyphenyl)ethynyl]pyrido[2,3-b]pyrazine (CID 56682081) is 2-chloro-3-[2-(3-methoxyphenyl)ethynyl]pyrido[2,3-b]pyrazine.
What is the SMILES notation for 2-chloro-3-[2-(3-methoxyphenyl)ethynyl]pyrido[2,3-b]pyrazine?
The canonical SMILES for 2-chloro-3-[2-(3-methoxyphenyl)ethynyl]pyrido[2,3-b]pyrazine is COc1cccc(C#Cc2nc3ncccc3nc2Cl)c1.
What is the InChIKey of 2-chloro-3-[2-(3-methoxyphenyl)ethynyl]pyrido[2,3-b]pyrazine?
The InChIKey is RGVKQNKUFYYKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O/c1-21-12-5-2-4-11(10-12)7-8-13-15(17)19-14-6-3-9-18-16(14)20-13/h2-6,9-10H,1H3.
What are the key properties of 2-chloro-3-[2-(3-methoxyphenyl)ethynyl]pyrido[2,3-b]pyrazine?
2-chloro-3-[2-(3-methoxyphenyl)ethynyl]pyrido[2,3-b]pyrazine has a molecular weight of 295.73 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[2-(3-methoxyphenyl)ethynyl]pyrido[2,3-b]pyrazine is sourced from PubChem (CID 56682081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).