2-[(4-nitrophenyl)diazenyl]propanoic acid

C9H9N3O4 — CID 91000303

IUPAC2-[(4-nitrophenyl)diazenyl]propanoic acid
SMILESCC(/N=N/c1ccc([N+](=O)[O-])cc1)C(=O)O
InChIInChI=1S/C9H9N3O4/c1-6(9(13)14)10-11-7-2-4-8(5-3-7)12(15)16/h2-6H,1H3,(H,13,14)/b11-10+
InChIKeyUKRSLMUGPIUQAJ-ZHACJKMWSA-N
MW223.19 g/mol
LogP2.15
Rot. Bonds4

About 2-[(4-nitrophenyl)diazenyl]propanoic acid

2-[(4-nitrophenyl)diazenyl]propanoic acid (PubChem CID 91000303) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is 2-[(4-nitrophenyl)diazenyl]propanoic acid.

Molecular Properties

Compound Name2-[(4-nitrophenyl)diazenyl]propanoic acid
PubChem CID91000303
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC Name2-[(4-nitrophenyl)diazenyl]propanoic acid
SMILESCC(/N=N/c1ccc([N+](=O)[O-])cc1)C(=O)O
InChIInChI=1S/C9H9N3O4/c1-6(9(13)14)10-11-7-2-4-8(5-3-7)12(15)16/h2-6H,1H3,(H,13,14)/b11-10+
InChIKeyUKRSLMUGPIUQAJ-ZHACJKMWSA-N
XLogP2.15
TPSA105.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(4-nitrophenyl)-phenyldiazene
CID 17222
methyl-(4-nitrophenyl)diazene
CID 20760343
2,2-bis(4-nitrophenyl)acetic acid
CID 12768595
[[dimethyl(oxo)-λ6-sulfanylidene]amino]-[(1S)-1-[(4-nitrophenyl)diazenyl]ethyl]-diphenylphosphanium
CID 98142382
2-[4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol
CID 19819208
2-(4-nitrophenyl)sulfinylpropanoic acid
CID 61302571
(2S)-2-(4-nitrophenoxy)propanoic acid
CID 7922614
4-methylbenzenesulfonic acid;(4-nitrophenyl)-phenyldiazene
CID 174911853
(4-nitrophenyl)-[(R)-phenoxy(phenyl)methyl]diazene
CID 7088618
dithiophen-2-ylmethyl-(4-nitrophenyl)diazene
CID 90915578
(2S)-2-(4-nitroanilino)propanoic acid;hydrochloride
CID 69175766
(2S,3R)-2-amino-3-(4-nitrophenyl)butanoic acid
CID 14598190

Frequently Asked Questions

What is the IUPAC name of 2-[(4-nitrophenyl)diazenyl]propanoic acid?
The IUPAC name of 2-[(4-nitrophenyl)diazenyl]propanoic acid (CID 91000303) is 2-[(4-nitrophenyl)diazenyl]propanoic acid.
What is the SMILES notation for 2-[(4-nitrophenyl)diazenyl]propanoic acid?
The canonical SMILES for 2-[(4-nitrophenyl)diazenyl]propanoic acid is CC(/N=N/c1ccc([N+](=O)[O-])cc1)C(=O)O.
What is the InChIKey of 2-[(4-nitrophenyl)diazenyl]propanoic acid?
The InChIKey is UKRSLMUGPIUQAJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C9H9N3O4/c1-6(9(13)14)10-11-7-2-4-8(5-3-7)12(15)16/h2-6H,1H3,(H,13,14)/b11-10+.
What are the key properties of 2-[(4-nitrophenyl)diazenyl]propanoic acid?
2-[(4-nitrophenyl)diazenyl]propanoic acid has a molecular weight of 223.19 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-nitrophenyl)diazenyl]propanoic acid is sourced from PubChem (CID 91000303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).