5,6-bis(3-bromophenyl)-3-chloropyrazine-2-carbonitrile

C17H8Br2ClN3 — CID 132588492

IUPAC5,6-bis(3-bromophenyl)-3-chloropyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2cccc(Br)c2)c(-c2cccc(Br)c2)nc1Cl
InChIInChI=1S/C17H8Br2ClN3/c18-12-5-1-3-10(7-12)15-16(11-4-2-6-13(19)8-11)23-17(20)14(9-21)22-15/h1-8H
InChIKeyYIUIUBFJIPBKEG-UHFFFAOYSA-N
MW449.53 g/mol
LogP5.86
Rot. Bonds2

About 5,6-bis(3-bromophenyl)-3-chloropyrazine-2-carbonitrile

5,6-bis(3-bromophenyl)-3-chloropyrazine-2-carbonitrile (PubChem CID 132588492) has the molecular formula C17H8Br2ClN3 and a molecular weight of 449.53 g/mol. Its IUPAC name is 5,6-bis(3-bromophenyl)-3-chloropyrazine-2-carbonitrile.

Molecular Properties

Compound Name5,6-bis(3-bromophenyl)-3-chloropyrazine-2-carbonitrile
PubChem CID132588492
Molecular FormulaC17H8Br2ClN3
Molecular Weight449.53 g/mol
Exact Mass446.88
IUPAC Name5,6-bis(3-bromophenyl)-3-chloropyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2cccc(Br)c2)c(-c2cccc(Br)c2)nc1Cl
InChIInChI=1S/C17H8Br2ClN3/c18-12-5-1-3-10(7-12)15-16(11-4-2-6-13(19)8-11)23-17(20)14(9-21)22-15/h1-8H
InChIKeyYIUIUBFJIPBKEG-UHFFFAOYSA-N
XLogP5.86
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.53
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3,5,6-triphenylpyrazine-2-carbonitrile
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5,6-bis(3-bromophenyl)pyrazine-2,3-dicarboxylic acid
CID 132588495
4-(3-bromophenyl)-1-methyl-2-oxopyrimidine-5-carbonitrile
CID 116851963
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4-(3-bromophenyl)-6-methylpyrimidine-2-carbonitrile
CID 116894958
4-(3-bromophenyl)-6-(4-chlorophenyl)-2-ethoxypyridine-3-carbonitrile
CID 4266918
2-(3-bromophenyl)-4-chloro-5-methyl-6-phenylpyrimidine
CID 104845834
6-(3-bromophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53354729
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CID 79440116

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(3-bromophenyl)-3-chloropyrazine-2-carbonitrile?
The IUPAC name of 5,6-bis(3-bromophenyl)-3-chloropyrazine-2-carbonitrile (CID 132588492) is 5,6-bis(3-bromophenyl)-3-chloropyrazine-2-carbonitrile.
What is the SMILES notation for 5,6-bis(3-bromophenyl)-3-chloropyrazine-2-carbonitrile?
The canonical SMILES for 5,6-bis(3-bromophenyl)-3-chloropyrazine-2-carbonitrile is N#Cc1nc(-c2cccc(Br)c2)c(-c2cccc(Br)c2)nc1Cl.
What is the InChIKey of 5,6-bis(3-bromophenyl)-3-chloropyrazine-2-carbonitrile?
The InChIKey is YIUIUBFJIPBKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Br2ClN3/c18-12-5-1-3-10(7-12)15-16(11-4-2-6-13(19)8-11)23-17(20)14(9-21)22-15/h1-8H.
What are the key properties of 5,6-bis(3-bromophenyl)-3-chloropyrazine-2-carbonitrile?
5,6-bis(3-bromophenyl)-3-chloropyrazine-2-carbonitrile has a molecular weight of 449.53 g/mol, XLogP of 5.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(3-bromophenyl)-3-chloropyrazine-2-carbonitrile is sourced from PubChem (CID 132588492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).