(2-methyl-1H-indol-3-yl)-(2-nitrophenyl)diazene

C15H12N4O2 — CID 135645807

IUPAC(2-methyl-1H-indol-3-yl)-(2-nitrophenyl)diazene
SMILESCc1[nH]c2ccccc2c1/N=N/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H12N4O2/c1-10-15(11-6-2-3-7-12(11)16-10)18-17-13-8-4-5-9-14(13)19(20)21/h2-9,16H,1H3/b18-17+
InChIKeyXRCOWBDRDSVSKI-ISLYRVAYSA-N
MW280.29 g/mol
LogP4.80
Rot. Bonds3

About (2-methyl-1H-indol-3-yl)-(2-nitrophenyl)diazene

(2-methyl-1H-indol-3-yl)-(2-nitrophenyl)diazene (PubChem CID 135645807) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is (2-methyl-1H-indol-3-yl)-(2-nitrophenyl)diazene.

Molecular Properties

Compound Name(2-methyl-1H-indol-3-yl)-(2-nitrophenyl)diazene
PubChem CID135645807
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name(2-methyl-1H-indol-3-yl)-(2-nitrophenyl)diazene
SMILESCc1[nH]c2ccccc2c1/N=N/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H12N4O2/c1-10-15(11-6-2-3-7-12(11)16-10)18-17-13-8-4-5-9-14(13)19(20)21/h2-9,16H,1H3/b18-17+
InChIKeyXRCOWBDRDSVSKI-ISLYRVAYSA-N
XLogP4.80
TPSA83.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-bromophenyl)-(2-methyl-1H-indol-3-yl)diazene
CID 135851037
1-(2-methyl-1H-indol-3-yl)-N-(2-nitrophenyl)methanimine
CID 3284671
3-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol
CID 3559649
2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol
CID 135986053
(2-chloro-6-methylphenyl)-(2-methyl-1H-indol-3-yl)diazene
CID 154722811
6-hydroxy-5-[(2-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione
CID 2754543
4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol
CID 3525274
(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene
CID 2852535
4-hydroxy-1-methyl-3-[(2-nitrophenyl)diazenyl]quinolin-2-one
CID 135666418
6-hydroxy-5-[(2-nitrophenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 2754545
chloro-(2-nitrophenyl)diazene
CID 13403227
8-[(2-nitrophenyl)diazenyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ol
CID 135755077

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1H-indol-3-yl)-(2-nitrophenyl)diazene?
The IUPAC name of (2-methyl-1H-indol-3-yl)-(2-nitrophenyl)diazene (CID 135645807) is (2-methyl-1H-indol-3-yl)-(2-nitrophenyl)diazene.
What is the SMILES notation for (2-methyl-1H-indol-3-yl)-(2-nitrophenyl)diazene?
The canonical SMILES for (2-methyl-1H-indol-3-yl)-(2-nitrophenyl)diazene is Cc1[nH]c2ccccc2c1/N=N/c1ccccc1[N+](=O)[O-].
What is the InChIKey of (2-methyl-1H-indol-3-yl)-(2-nitrophenyl)diazene?
The InChIKey is XRCOWBDRDSVSKI-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-10-15(11-6-2-3-7-12(11)16-10)18-17-13-8-4-5-9-14(13)19(20)21/h2-9,16H,1H3/b18-17+.
What are the key properties of (2-methyl-1H-indol-3-yl)-(2-nitrophenyl)diazene?
(2-methyl-1H-indol-3-yl)-(2-nitrophenyl)diazene has a molecular weight of 280.29 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1H-indol-3-yl)-(2-nitrophenyl)diazene is sourced from PubChem (CID 135645807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).