bis[5-chloro-4-(trifluoromethyl)-2-pyridinyl]diazene

C12H4Cl2F6N4 — CID 132567260

IUPACbis[5-chloro-4-(trifluoromethyl)-2-pyridinyl]diazene
SMILESFC(F)(F)c1cc(/N=N/c2cc(C(F)(F)F)c(Cl)cn2)ncc1Cl
InChIInChI=1S/C12H4Cl2F6N4/c13-7-3-21-9(1-5(7)11(15,16)17)23-24-10-2-6(12(18,19)20)8(14)4-22-10/h1-4H/b24-23+
InChIKeyVSUMEXVSWGKFSF-WCWDXBQESA-N
MW389.09 g/mol
LogP6.24
Rot. Bonds2

About bis[5-chloro-4-(trifluoromethyl)-2-pyridinyl]diazene

bis[5-chloro-4-(trifluoromethyl)-2-pyridinyl]diazene (PubChem CID 132567260) has the molecular formula C12H4Cl2F6N4 and a molecular weight of 389.09 g/mol. Its IUPAC name is bis[5-chloro-4-(trifluoromethyl)-2-pyridinyl]diazene.

Molecular Properties

Compound Namebis[5-chloro-4-(trifluoromethyl)-2-pyridinyl]diazene
PubChem CID132567260
Molecular FormulaC12H4Cl2F6N4
Molecular Weight389.09 g/mol
Exact Mass387.97
IUPAC Namebis[5-chloro-4-(trifluoromethyl)-2-pyridinyl]diazene
SMILESFC(F)(F)c1cc(/N=N/c2cc(C(F)(F)F)c(Cl)cn2)ncc1Cl
InChIInChI=1S/C12H4Cl2F6N4/c13-7-3-21-9(1-5(7)11(15,16)17)23-24-10-2-6(12(18,19)20)8(14)4-22-10/h1-4H/b24-23+
InChIKeyVSUMEXVSWGKFSF-WCWDXBQESA-N
XLogP6.24
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.09
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-4-(trifluoromethyl)pyridine
CID 26986016
5-chloro-2-phenyl-4-(trifluoromethyl)pyridine
CID 133097706
2-benzylsulfanyl-5-chloro-4-(trifluoromethyl)pyridine
CID 146421733
4-tert-butyl-5-chloro-2-fluoropyridine
CID 59233319
2-amino-5-chloro-4-(trifluoromethyl)benzenethiol
CID 82548296
1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
CID 118805005
2-chloro-4,5-bis(trifluoromethyl)aniline
CID 118812765
2,4-dichloro-5-(trifluoromethyl)benzenethiol
CID 121234788
3,5-dichloro-2-[2-(trifluoromethyl)phenyl]pyridine
CID 134623597
1,2-dichloro-5-fluoro-3-(trifluoromethyl)benzene
CID 119018682
1,2,4-trichloro-3-fluoro-5-(trifluoromethyl)benzene
CID 23233529
3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one
CID 118043352

Frequently Asked Questions

What is the IUPAC name of bis[5-chloro-4-(trifluoromethyl)-2-pyridinyl]diazene?
The IUPAC name of bis[5-chloro-4-(trifluoromethyl)-2-pyridinyl]diazene (CID 132567260) is bis[5-chloro-4-(trifluoromethyl)-2-pyridinyl]diazene.
What is the SMILES notation for bis[5-chloro-4-(trifluoromethyl)-2-pyridinyl]diazene?
The canonical SMILES for bis[5-chloro-4-(trifluoromethyl)-2-pyridinyl]diazene is FC(F)(F)c1cc(/N=N/c2cc(C(F)(F)F)c(Cl)cn2)ncc1Cl.
What is the InChIKey of bis[5-chloro-4-(trifluoromethyl)-2-pyridinyl]diazene?
The InChIKey is VSUMEXVSWGKFSF-WCWDXBQESA-N. The full InChI is InChI=1S/C12H4Cl2F6N4/c13-7-3-21-9(1-5(7)11(15,16)17)23-24-10-2-6(12(18,19)20)8(14)4-22-10/h1-4H/b24-23+.
What are the key properties of bis[5-chloro-4-(trifluoromethyl)-2-pyridinyl]diazene?
bis[5-chloro-4-(trifluoromethyl)-2-pyridinyl]diazene has a molecular weight of 389.09 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[5-chloro-4-(trifluoromethyl)-2-pyridinyl]diazene is sourced from PubChem (CID 132567260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).