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

C19H10BrCl2N3 — CID 16765714

IUPAC7-bromo-2,3-bis(4-chlorophenyl)pyrido[2,3-b]pyrazine
SMILESClc1ccc(-c2nc3cc(Br)cnc3nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H10BrCl2N3/c20-13-9-16-19(23-10-13)25-18(12-3-7-15(22)8-4-12)17(24-16)11-1-5-14(21)6-2-11/h1-10H
InChIKeyKRKKMGADVRXUDY-UHFFFAOYSA-N
MW431.12 g/mol
LogP6.43
Rot. Bonds2

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

7-bromo-2,3-bis(4-chlorophenyl)pyrido[2,3-b]pyrazine (PubChem CID 16765714) has the molecular formula C19H10BrCl2N3 and a molecular weight of 431.12 g/mol. Its IUPAC name is 7-bromo-2,3-bis(4-chlorophenyl)pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name7-bromo-2,3-bis(4-chlorophenyl)pyrido[2,3-b]pyrazine
PubChem CID16765714
Molecular FormulaC19H10BrCl2N3
Molecular Weight431.12 g/mol
Exact Mass428.94
IUPAC Name7-bromo-2,3-bis(4-chlorophenyl)pyrido[2,3-b]pyrazine
SMILESClc1ccc(-c2nc3cc(Br)cnc3nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H10BrCl2N3/c20-13-9-16-19(23-10-13)25-18(12-3-7-15(22)8-4-12)17(24-16)11-1-5-14(21)6-2-11/h1-10H
InChIKeyKRKKMGADVRXUDY-UHFFFAOYSA-N
XLogP6.43
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.12
LogP ≤ 56.43
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-chlorophenyl)pyrido[2,3-b]pyrazine?
The IUPAC name of 7-bromo-2,3-bis(4-chlorophenyl)pyrido[2,3-b]pyrazine (CID 16765714) is 7-bromo-2,3-bis(4-chlorophenyl)pyrido[2,3-b]pyrazine.
What is the SMILES notation for 7-bromo-2,3-bis(4-chlorophenyl)pyrido[2,3-b]pyrazine?
The canonical SMILES for 7-bromo-2,3-bis(4-chlorophenyl)pyrido[2,3-b]pyrazine is Clc1ccc(-c2nc3cc(Br)cnc3nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 7-bromo-2,3-bis(4-chlorophenyl)pyrido[2,3-b]pyrazine?
The InChIKey is KRKKMGADVRXUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10BrCl2N3/c20-13-9-16-19(23-10-13)25-18(12-3-7-15(22)8-4-12)17(24-16)11-1-5-14(21)6-2-11/h1-10H.
What are the key properties of 7-bromo-2,3-bis(4-chlorophenyl)pyrido[2,3-b]pyrazine?
7-bromo-2,3-bis(4-chlorophenyl)pyrido[2,3-b]pyrazine has a molecular weight of 431.12 g/mol, XLogP of 6.43, 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-chlorophenyl)pyrido[2,3-b]pyrazine is sourced from PubChem (CID 16765714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).