(2-chloro-5-nitrophenyl)diazene

C6H4ClN3O2 — CID 23175708

IUPAC(2-chloro-5-nitrophenyl)diazene
SMILES[H]/N=N/c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C6H4ClN3O2/c7-5-2-1-4(10(11)12)3-6(5)9-8/h1-3,8H/b9-8+
InChIKeyGREZWNAXJABSPJ-CMDGGOBGSA-N
MW185.57 g/mol
LogP2.91
Rot. Bonds2

About (2-chloro-5-nitrophenyl)diazene

(2-chloro-5-nitrophenyl)diazene (PubChem CID 23175708) has the molecular formula C6H4ClN3O2 and a molecular weight of 185.57 g/mol. Its IUPAC name is (2-chloro-5-nitrophenyl)diazene.

Molecular Properties

Compound Name(2-chloro-5-nitrophenyl)diazene
PubChem CID23175708
Molecular FormulaC6H4ClN3O2
Molecular Weight185.57 g/mol
Exact Mass185.00
IUPAC Name(2-chloro-5-nitrophenyl)diazene
SMILES[H]/N=N/c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C6H4ClN3O2/c7-5-2-1-4(10(11)12)3-6(5)9-8/h1-3,8H/b9-8+
InChIKeyGREZWNAXJABSPJ-CMDGGOBGSA-N
XLogP2.91
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.57
LogP ≤ 52.91
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

1,1-dichloro-N-(2-chloro-5-nitrophenyl)methanimine
CID 86632875
2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol
CID 3614500
N-(2-chloro-4-nitrophenyl)methanimine
CID 142216814
1,3,5-trichloro-2-(2-chloro-5-nitrophenyl)benzene
CID 134630362
1-chloro-2-methyl-4-nitrobenzene;sulfane
CID 162192887
1,2-dichloro-4-nitrobenzene;1,2,3-trichloro-5-nitrobenzene
CID 155677930
2-chloro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-nitrobenzene
CID 11515363
2-[(2,5-dichlorophenyl)iminomethyl]-4-nitrophenol
CID 690802
1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine
CID 792217
1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine
CID 3109084
2-chloro-N'-hydroxy-5-nitrobenzenecarboximidamide
CID 25418108
2-chloro-N-ethyl-5-nitroaniline
CID 43718971

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-nitrophenyl)diazene?
The IUPAC name of (2-chloro-5-nitrophenyl)diazene (CID 23175708) is (2-chloro-5-nitrophenyl)diazene.
What is the SMILES notation for (2-chloro-5-nitrophenyl)diazene?
The canonical SMILES for (2-chloro-5-nitrophenyl)diazene is [H]/N=N/c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of (2-chloro-5-nitrophenyl)diazene?
The InChIKey is GREZWNAXJABSPJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C6H4ClN3O2/c7-5-2-1-4(10(11)12)3-6(5)9-8/h1-3,8H/b9-8+.
What are the key properties of (2-chloro-5-nitrophenyl)diazene?
(2-chloro-5-nitrophenyl)diazene has a molecular weight of 185.57 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-nitrophenyl)diazene is sourced from PubChem (CID 23175708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).