(Z)-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enal

C9H7N3O4 — CID 135996780

IUPAC(Z)-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enal
SMILESO=CC(=C/O)/N=N/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H7N3O4/c13-5-7(6-14)10-11-8-3-1-2-4-9(8)12(15)16/h1-6,13H/b7-5-,11-10+
InChIKeyQBGDPTZITDFYPR-OLCNXZRBSA-N
MW221.17 g/mol
LogP2.28
Rot. Bonds4

About (Z)-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enal

(Z)-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enal (PubChem CID 135996780) has the molecular formula C9H7N3O4 and a molecular weight of 221.17 g/mol. Its IUPAC name is (Z)-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enal.

Molecular Properties

Compound Name(Z)-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enal
PubChem CID135996780
Molecular FormulaC9H7N3O4
Molecular Weight221.17 g/mol
Exact Mass221.04
IUPAC Name(Z)-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enal
SMILESO=CC(=C/O)/N=N/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H7N3O4/c13-5-7(6-14)10-11-8-3-1-2-4-9(8)12(15)16/h1-6,13H/b7-5-,11-10+
InChIKeyQBGDPTZITDFYPR-OLCNXZRBSA-N
XLogP2.28
TPSA105.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

chloro-(2-nitrophenyl)diazene
CID 13403227
ethyl (Z)-4-chloro-3-hydroxy-2-[(2-nitrophenyl)diazenyl]but-2-enoate
CID 135421179
ethyl 4-chloro-3-hydroxy-2-[(2-nitrophenyl)diazenyl]but-2-enoate
CID 135492823
(Z)-3-cyano-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enoyl cyanide
CID 138392055
(2-nitrophenyl)-phenyldiazene;phenol
CID 20526289
2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol
CID 135986053
4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol
CID 3525274
ethyl 3-hydroxy-2-[(2-nitrophenyl)diazenyl]-3-phenylprop-2-enoate
CID 135527429
(2-nitrophenyl)-(2-nitropropan-2-yl)diazene
CID 15025181
2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol
CID 135503618
formamide;2-nitrophenol
CID 20538790
2,6-dimethoxy-4-[[(2-nitrophenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one
CID 59638937

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enal?
The IUPAC name of (Z)-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enal (CID 135996780) is (Z)-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enal.
What is the SMILES notation for (Z)-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enal?
The canonical SMILES for (Z)-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enal is O=CC(=C/O)/N=N/c1ccccc1[N+](=O)[O-].
What is the InChIKey of (Z)-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enal?
The InChIKey is QBGDPTZITDFYPR-OLCNXZRBSA-N. The full InChI is InChI=1S/C9H7N3O4/c13-5-7(6-14)10-11-8-3-1-2-4-9(8)12(15)16/h1-6,13H/b7-5-,11-10+.
What are the key properties of (Z)-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enal?
(Z)-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enal has a molecular weight of 221.17 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enal is sourced from PubChem (CID 135996780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).