(2,6-dichlorophenyl)methyl-pyridin-4-yldiazene

C12H9Cl2N3 — CID 90975390

IUPAC(2,6-dichlorophenyl)methyl-pyridin-4-yldiazene
SMILESClc1cccc(Cl)c1C/N=N/c1ccncc1
InChIInChI=1S/C12H9Cl2N3/c13-11-2-1-3-12(14)10(11)8-16-17-9-4-6-15-7-5-9/h1-7H,8H2/b17-16+
InChIKeyCWPFOFOGVGFOJF-WUKNDPDISA-N
MW266.13 g/mol
LogP4.67
Rot. Bonds3

About (2,6-dichlorophenyl)methyl-pyridin-4-yldiazene

(2,6-dichlorophenyl)methyl-pyridin-4-yldiazene (PubChem CID 90975390) has the molecular formula C12H9Cl2N3 and a molecular weight of 266.13 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl-pyridin-4-yldiazene.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl-pyridin-4-yldiazene
PubChem CID90975390
Molecular FormulaC12H9Cl2N3
Molecular Weight266.13 g/mol
Exact Mass265.02
IUPAC Name(2,6-dichlorophenyl)methyl-pyridin-4-yldiazene
SMILESClc1cccc(Cl)c1C/N=N/c1ccncc1
InChIInChI=1S/C12H9Cl2N3/c13-11-2-1-3-12(14)10(11)8-16-17-9-4-6-15-7-5-9/h1-7H,8H2/b17-16+
InChIKeyCWPFOFOGVGFOJF-WUKNDPDISA-N
XLogP4.67
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(2,6-dichlorophenyl)methyl-phenyldiazene
CID 54361254
(2,6-dichlorophenyl)methyl-methyldiazene
CID 123418574
ethane;methyl-[(pyridin-4-yldiazenyl)methyl]diazene
CID 91164172
1,3-dichloro-2-(nitrosomethyl)benzene
CID 54118768
4,6-dichlorobenzene-1,3-diol;dipyridin-4-yldiazene
CID 139202653
2-(2-chloro-6-fluorophenyl)-1-pyridin-4-ylethanol
CID 61495940
benzene-1,3-diol;dipyridin-4-yldiazene
CID 139148024
N-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-4-ylethanamine
CID 54944255
2-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)-6-pyridin-4-ylpyrimidine
CID 5297686
3-chloro-2-fluoro-N-(pyridin-4-ylmethyl)aniline
CID 28879747
[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methanol
CID 114320498
2-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)-N-pyridin-4-ylacetamide
CID 154783315

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl-pyridin-4-yldiazene?
The IUPAC name of (2,6-dichlorophenyl)methyl-pyridin-4-yldiazene (CID 90975390) is (2,6-dichlorophenyl)methyl-pyridin-4-yldiazene.
What is the SMILES notation for (2,6-dichlorophenyl)methyl-pyridin-4-yldiazene?
The canonical SMILES for (2,6-dichlorophenyl)methyl-pyridin-4-yldiazene is Clc1cccc(Cl)c1C/N=N/c1ccncc1.
What is the InChIKey of (2,6-dichlorophenyl)methyl-pyridin-4-yldiazene?
The InChIKey is CWPFOFOGVGFOJF-WUKNDPDISA-N. The full InChI is InChI=1S/C12H9Cl2N3/c13-11-2-1-3-12(14)10(11)8-16-17-9-4-6-15-7-5-9/h1-7H,8H2/b17-16+.
What are the key properties of (2,6-dichlorophenyl)methyl-pyridin-4-yldiazene?
(2,6-dichlorophenyl)methyl-pyridin-4-yldiazene has a molecular weight of 266.13 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl-pyridin-4-yldiazene is sourced from PubChem (CID 90975390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).