2,3-bis(4-chlorophenyl)-5-methylpyrazine

C17H12Cl2N2 — CID 14096510

IUPAC2,3-bis(4-chlorophenyl)-5-methylpyrazine
SMILESCc1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H12Cl2N2/c1-11-10-20-16(12-2-6-14(18)7-3-12)17(21-11)13-4-8-15(19)9-5-13/h2-10H,1H3
InChIKeyBRBZKBIZHPNVOL-UHFFFAOYSA-N
MW315.20 g/mol
LogP5.43
Rot. Bonds2

About 2,3-bis(4-chlorophenyl)-5-methylpyrazine

2,3-bis(4-chlorophenyl)-5-methylpyrazine (PubChem CID 14096510) has the molecular formula C17H12Cl2N2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 2,3-bis(4-chlorophenyl)-5-methylpyrazine.

Molecular Properties

Compound Name2,3-bis(4-chlorophenyl)-5-methylpyrazine
PubChem CID14096510
Molecular FormulaC17H12Cl2N2
Molecular Weight315.20 g/mol
Exact Mass314.04
IUPAC Name2,3-bis(4-chlorophenyl)-5-methylpyrazine
SMILESCc1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H12Cl2N2/c1-11-10-20-16(12-2-6-14(18)7-3-12)17(21-11)13-4-8-15(19)9-5-13/h2-10H,1H3
InChIKeyBRBZKBIZHPNVOL-UHFFFAOYSA-N
XLogP5.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.20
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-chlorophenyl)-5-methylpyrazine?
The IUPAC name of 2,3-bis(4-chlorophenyl)-5-methylpyrazine (CID 14096510) is 2,3-bis(4-chlorophenyl)-5-methylpyrazine.
What is the SMILES notation for 2,3-bis(4-chlorophenyl)-5-methylpyrazine?
The canonical SMILES for 2,3-bis(4-chlorophenyl)-5-methylpyrazine is Cc1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2,3-bis(4-chlorophenyl)-5-methylpyrazine?
The InChIKey is BRBZKBIZHPNVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2/c1-11-10-20-16(12-2-6-14(18)7-3-12)17(21-11)13-4-8-15(19)9-5-13/h2-10H,1H3.
What are the key properties of 2,3-bis(4-chlorophenyl)-5-methylpyrazine?
2,3-bis(4-chlorophenyl)-5-methylpyrazine has a molecular weight of 315.20 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-chlorophenyl)-5-methylpyrazine is sourced from PubChem (CID 14096510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).