3-[(4-chlorophenyl)diazenyl]-4-ethylpyridine-2,6-diamine

C13H14ClN5 — CID 126679434

IUPAC3-[(4-chlorophenyl)diazenyl]-4-ethylpyridine-2,6-diamine
SMILESCCc1cc(N)nc(N)c1/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN5/c1-2-8-7-11(15)17-13(16)12(8)19-18-10-5-3-9(14)4-6-10/h3-7H,2H2,1H3,(H4,15,16,17)/b19-18+
InChIKeyFFKLXVNUUXOCIQ-VHEBQXMUSA-N
MW275.74 g/mol
LogP3.88
Rot. Bonds3

About 3-[(4-chlorophenyl)diazenyl]-4-ethylpyridine-2,6-diamine

3-[(4-chlorophenyl)diazenyl]-4-ethylpyridine-2,6-diamine (PubChem CID 126679434) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)diazenyl]-4-ethylpyridine-2,6-diamine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)diazenyl]-4-ethylpyridine-2,6-diamine
PubChem CID126679434
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC Name3-[(4-chlorophenyl)diazenyl]-4-ethylpyridine-2,6-diamine
SMILESCCc1cc(N)nc(N)c1/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN5/c1-2-8-7-11(15)17-13(16)12(8)19-18-10-5-3-9(14)4-6-10/h3-7H,2H2,1H3,(H4,15,16,17)/b19-18+
InChIKeyFFKLXVNUUXOCIQ-VHEBQXMUSA-N
XLogP3.88
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-[[2,6-diamino-3-[(4-chlorophenyl)diazenyl]-4-pyridinyl]methyl]benzoic acid
CID 126649685
4-amino-6-chloro-5-[(4-chlorophenyl)diazenyl]-1-methylpyrimidin-2-one
CID 86578698
N-[3-[2,6-diamino-3-[(4-chlorophenyl)diazenyl]-4-pyridinyl]-3-phenylpropyl]benzamide;ethanol;methane;N-[3-phenyl-3-(2,3,6-triamino-4-pyridinyl)propyl]benzamide
CID 159134209
4-[(4-chlorophenyl)diazenyl]-5-ethyl-2-methoxyaniline
CID 23339963
3-[(4-chlorophenyl)diazenyl]-4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,6-diamine;4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,3,6-triamine
CID 162147029
5-(4-chlorophenyl)-4-ethylpyridin-2-amine
CID 58709677
4-[(2,4,6-triaminopyrimidin-5-yl)diazenyl]benzaldehyde
CID 89006402
(4-chlorophenyl)-ethyldiazene
CID 54169183
5-(4-chlorophenyl)-3-ethylpyridin-2-amine
CID 142402687
7-amino-8-[(4-chlorophenyl)diazenyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135450958
6-amino-5-[(4-chlorophenyl)diazenyl]-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one
CID 137240360
4-[(4-chlorophenyl)diazenyl]-5-cyclopropyl-1H-pyrazol-3-amine
CID 2818928

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)diazenyl]-4-ethylpyridine-2,6-diamine?
The IUPAC name of 3-[(4-chlorophenyl)diazenyl]-4-ethylpyridine-2,6-diamine (CID 126679434) is 3-[(4-chlorophenyl)diazenyl]-4-ethylpyridine-2,6-diamine.
What is the SMILES notation for 3-[(4-chlorophenyl)diazenyl]-4-ethylpyridine-2,6-diamine?
The canonical SMILES for 3-[(4-chlorophenyl)diazenyl]-4-ethylpyridine-2,6-diamine is CCc1cc(N)nc(N)c1/N=N/c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)diazenyl]-4-ethylpyridine-2,6-diamine?
The InChIKey is FFKLXVNUUXOCIQ-VHEBQXMUSA-N. The full InChI is InChI=1S/C13H14ClN5/c1-2-8-7-11(15)17-13(16)12(8)19-18-10-5-3-9(14)4-6-10/h3-7H,2H2,1H3,(H4,15,16,17)/b19-18+.
What are the key properties of 3-[(4-chlorophenyl)diazenyl]-4-ethylpyridine-2,6-diamine?
3-[(4-chlorophenyl)diazenyl]-4-ethylpyridine-2,6-diamine has a molecular weight of 275.74 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)diazenyl]-4-ethylpyridine-2,6-diamine is sourced from PubChem (CID 126679434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).