7-bromo-2,3-bis(4-methylphenyl)pyrido[2,3-b]pyrazine

C21H16BrN3 — CID 2544769

IUPAC7-bromo-2,3-bis(4-methylphenyl)pyrido[2,3-b]pyrazine
SMILESCc1ccc(-c2nc3cc(Br)cnc3nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C21H16BrN3/c1-13-3-7-15(8-4-13)19-20(16-9-5-14(2)6-10-16)25-21-18(24-19)11-17(22)12-23-21/h3-12H,1-2H3
InChIKeyDDOAPVLJUQBFRW-UHFFFAOYSA-N
MW390.28 g/mol
LogP5.74
Rot. Bonds2

About 7-bromo-2,3-bis(4-methylphenyl)pyrido[2,3-b]pyrazine

7-bromo-2,3-bis(4-methylphenyl)pyrido[2,3-b]pyrazine (PubChem CID 2544769) has the molecular formula C21H16BrN3 and a molecular weight of 390.28 g/mol. Its IUPAC name is 7-bromo-2,3-bis(4-methylphenyl)pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name7-bromo-2,3-bis(4-methylphenyl)pyrido[2,3-b]pyrazine
PubChem CID2544769
Molecular FormulaC21H16BrN3
Molecular Weight390.28 g/mol
Exact Mass389.05
IUPAC Name7-bromo-2,3-bis(4-methylphenyl)pyrido[2,3-b]pyrazine
SMILESCc1ccc(-c2nc3cc(Br)cnc3nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C21H16BrN3/c1-13-3-7-15(8-4-13)19-20(16-9-5-14(2)6-10-16)25-21-18(24-19)11-17(22)12-23-21/h3-12H,1-2H3
InChIKeyDDOAPVLJUQBFRW-UHFFFAOYSA-N
XLogP5.74
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.28
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,3-bis(4-methylphenyl)pyrido[2,3-b]pyrazine?
The IUPAC name of 7-bromo-2,3-bis(4-methylphenyl)pyrido[2,3-b]pyrazine (CID 2544769) is 7-bromo-2,3-bis(4-methylphenyl)pyrido[2,3-b]pyrazine.
What is the SMILES notation for 7-bromo-2,3-bis(4-methylphenyl)pyrido[2,3-b]pyrazine?
The canonical SMILES for 7-bromo-2,3-bis(4-methylphenyl)pyrido[2,3-b]pyrazine is Cc1ccc(-c2nc3cc(Br)cnc3nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 7-bromo-2,3-bis(4-methylphenyl)pyrido[2,3-b]pyrazine?
The InChIKey is DDOAPVLJUQBFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN3/c1-13-3-7-15(8-4-13)19-20(16-9-5-14(2)6-10-16)25-21-18(24-19)11-17(22)12-23-21/h3-12H,1-2H3.
What are the key properties of 7-bromo-2,3-bis(4-methylphenyl)pyrido[2,3-b]pyrazine?
7-bromo-2,3-bis(4-methylphenyl)pyrido[2,3-b]pyrazine has a molecular weight of 390.28 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,3-bis(4-methylphenyl)pyrido[2,3-b]pyrazine is sourced from PubChem (CID 2544769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).