(2-chloro-6-methylphenyl)-(2-methyl-1H-indol-3-yl)diazene

C16H14ClN3 — CID 154722811

IUPAC(2-chloro-6-methylphenyl)-(2-methyl-1H-indol-3-yl)diazene
SMILESCc1cccc(Cl)c1/N=N/c1c(C)[nH]c2ccccc12
InChIInChI=1S/C16H14ClN3/c1-10-6-5-8-13(17)15(10)19-20-16-11(2)18-14-9-4-3-7-12(14)16/h3-9,18H,1-2H3/b20-19+
InChIKeyPBNNXIRSKMTQFB-FMQUCBEESA-N
MW283.76 g/mol
LogP5.85
Rot. Bonds2

About (2-chloro-6-methylphenyl)-(2-methyl-1H-indol-3-yl)diazene

(2-chloro-6-methylphenyl)-(2-methyl-1H-indol-3-yl)diazene (PubChem CID 154722811) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is (2-chloro-6-methylphenyl)-(2-methyl-1H-indol-3-yl)diazene.

Molecular Properties

Compound Name(2-chloro-6-methylphenyl)-(2-methyl-1H-indol-3-yl)diazene
PubChem CID154722811
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name(2-chloro-6-methylphenyl)-(2-methyl-1H-indol-3-yl)diazene
SMILESCc1cccc(Cl)c1/N=N/c1c(C)[nH]c2ccccc12
InChIInChI=1S/C16H14ClN3/c1-10-6-5-8-13(17)15(10)19-20-16-11(2)18-14-9-4-3-7-12(14)16/h3-9,18H,1-2H3/b20-19+
InChIKeyPBNNXIRSKMTQFB-FMQUCBEESA-N
XLogP5.85
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.76
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-bromophenyl)-(2-methyl-1H-indol-3-yl)diazene
CID 135851037
(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene
CID 2852535
(2-methyl-1H-indol-3-yl)-(2-nitrophenyl)diazene
CID 135645807
(2-methyl-1H-indol-3-yl)-(4-phenyl-1,3-thiazol-2-yl)diazene
CID 137234432
1-chloro-3-methyl-2-nitrosobenzene
CID 89289112
[(3R)-2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl]-(2-methyl-1H-indol-3-yl)diazene
CID 136877648
[(3S)-2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl]-(2-methyl-1H-indol-3-yl)diazene
CID 136828025
4-[(2-chloro-6-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 3018314
3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol
CID 136860025
2-chloro-N-[(2-methyl-1H-indol-3-yl)methylideneamino]aniline
CID 3656134
2,3-dimethyl-1H-indole;molecular hydrogen
CID 142083168
N-(2-chloro-6-methylphenyl)-1-phenylmethanimine
CID 5152819

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methylphenyl)-(2-methyl-1H-indol-3-yl)diazene?
The IUPAC name of (2-chloro-6-methylphenyl)-(2-methyl-1H-indol-3-yl)diazene (CID 154722811) is (2-chloro-6-methylphenyl)-(2-methyl-1H-indol-3-yl)diazene.
What is the SMILES notation for (2-chloro-6-methylphenyl)-(2-methyl-1H-indol-3-yl)diazene?
The canonical SMILES for (2-chloro-6-methylphenyl)-(2-methyl-1H-indol-3-yl)diazene is Cc1cccc(Cl)c1/N=N/c1c(C)[nH]c2ccccc12.
What is the InChIKey of (2-chloro-6-methylphenyl)-(2-methyl-1H-indol-3-yl)diazene?
The InChIKey is PBNNXIRSKMTQFB-FMQUCBEESA-N. The full InChI is InChI=1S/C16H14ClN3/c1-10-6-5-8-13(17)15(10)19-20-16-11(2)18-14-9-4-3-7-12(14)16/h3-9,18H,1-2H3/b20-19+.
What are the key properties of (2-chloro-6-methylphenyl)-(2-methyl-1H-indol-3-yl)diazene?
(2-chloro-6-methylphenyl)-(2-methyl-1H-indol-3-yl)diazene has a molecular weight of 283.76 g/mol, XLogP of 5.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methylphenyl)-(2-methyl-1H-indol-3-yl)diazene is sourced from PubChem (CID 154722811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).