4-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)-1,3,5-triazine-2-carbonitrile

C17H10BrClN4 — CID 69014405

IUPAC4-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)-1,3,5-triazine-2-carbonitrile
SMILESCc1ccc(Cl)cc1-c1nc(C#N)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C17H10BrClN4/c1-10-2-7-13(19)8-14(10)17-22-15(9-20)21-16(23-17)11-3-5-12(18)6-4-11/h2-8H,1H3
InChIKeyFNUCSVWOLBLDBS-UHFFFAOYSA-N
MW385.65 g/mol
LogP4.80
Rot. Bonds2

About 4-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)-1,3,5-triazine-2-carbonitrile

4-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)-1,3,5-triazine-2-carbonitrile (PubChem CID 69014405) has the molecular formula C17H10BrClN4 and a molecular weight of 385.65 g/mol. Its IUPAC name is 4-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)-1,3,5-triazine-2-carbonitrile
PubChem CID69014405
Molecular FormulaC17H10BrClN4
Molecular Weight385.65 g/mol
Exact Mass383.98
IUPAC Name4-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)-1,3,5-triazine-2-carbonitrile
SMILESCc1ccc(Cl)cc1-c1nc(C#N)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C17H10BrClN4/c1-10-2-7-13(19)8-14(10)17-22-15(9-20)21-16(23-17)11-3-5-12(18)6-4-11/h2-8H,1H3
InChIKeyFNUCSVWOLBLDBS-UHFFFAOYSA-N
XLogP4.80
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.65
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)-1,3,5-triazine-2-carbonitrile (CID 69014405) is 4-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)-1,3,5-triazine-2-carbonitrile is Cc1ccc(Cl)cc1-c1nc(C#N)nc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 4-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)-1,3,5-triazine-2-carbonitrile?
The InChIKey is FNUCSVWOLBLDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrClN4/c1-10-2-7-13(19)8-14(10)17-22-15(9-20)21-16(23-17)11-3-5-12(18)6-4-11/h2-8H,1H3.
What are the key properties of 4-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)-1,3,5-triazine-2-carbonitrile?
4-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)-1,3,5-triazine-2-carbonitrile has a molecular weight of 385.65 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 69014405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).