2-(2-hydroxy-5-nitrophenyl)prop-2-enoic acid

C9H7NO5 — CID 151467946

IUPAC2-(2-hydroxy-5-nitrophenyl)prop-2-enoic acid
SMILESC=C(C(=O)O)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C9H7NO5/c1-5(9(12)13)7-4-6(10(14)15)2-3-8(7)11/h2-4,11H,1H2,(H,12,13)
InChIKeyPJVWQBFPCLUZIO-UHFFFAOYSA-N
MW209.16 g/mol
LogP1.40
Rot. Bonds3

About 2-(2-hydroxy-5-nitrophenyl)prop-2-enoic acid

2-(2-hydroxy-5-nitrophenyl)prop-2-enoic acid (PubChem CID 151467946) has the molecular formula C9H7NO5 and a molecular weight of 209.16 g/mol. Its IUPAC name is 2-(2-hydroxy-5-nitrophenyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(2-hydroxy-5-nitrophenyl)prop-2-enoic acid
PubChem CID151467946
Molecular FormulaC9H7NO5
Molecular Weight209.16 g/mol
Exact Mass209.03
IUPAC Name2-(2-hydroxy-5-nitrophenyl)prop-2-enoic acid
SMILESC=C(C(=O)O)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C9H7NO5/c1-5(9(12)13)7-4-6(10(14)15)2-3-8(7)11/h2-4,11H,1H2,(H,12,13)
InChIKeyPJVWQBFPCLUZIO-UHFFFAOYSA-N
XLogP1.40
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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-(2-hydroxy-5-nitrophenyl)-2-methylpropan-1-one
CID 13157008
[3-(2-hydroxy-5-nitrobenzoyl)-5-nitrophenyl]-(2-hydroxy-5-nitrophenyl)methanone
CID 166446115
1-(2-hydroxy-5-nitrophenyl)ethanethione
CID 136728864
2-hydroxy-5-(4-nitrophenyl)benzoic acid
CID 69207175
1-(2-hydroxy-5-nitrophenyl)butan-1-one
CID 23019315
oxobismuthanyl 2-hydroxy-5-nitrobenzoate
CID 16688295
N'-benzoyl-2-hydroxy-5-nitrobenzohydrazide
CID 3351512
N'-acetyl-2-hydroxy-5-nitrobenzohydrazide
CID 102383620
bis(4-nitrophthalic acid);zirconium
CID 5176883
acetic acid;bis(2,4-dinitrophenol)
CID 88801874
ethane;2-hydroxy-4-nitrobenzoic acid
CID 143615987
N-(2-benzamidoethyl)-2-hydroxy-5-nitrobenzamide
CID 72707126

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-nitrophenyl)prop-2-enoic acid?
The IUPAC name of 2-(2-hydroxy-5-nitrophenyl)prop-2-enoic acid (CID 151467946) is 2-(2-hydroxy-5-nitrophenyl)prop-2-enoic acid.
What is the SMILES notation for 2-(2-hydroxy-5-nitrophenyl)prop-2-enoic acid?
The canonical SMILES for 2-(2-hydroxy-5-nitrophenyl)prop-2-enoic acid is C=C(C(=O)O)c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-(2-hydroxy-5-nitrophenyl)prop-2-enoic acid?
The InChIKey is PJVWQBFPCLUZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO5/c1-5(9(12)13)7-4-6(10(14)15)2-3-8(7)11/h2-4,11H,1H2,(H,12,13).
What are the key properties of 2-(2-hydroxy-5-nitrophenyl)prop-2-enoic acid?
2-(2-hydroxy-5-nitrophenyl)prop-2-enoic acid has a molecular weight of 209.16 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-nitrophenyl)prop-2-enoic acid is sourced from PubChem (CID 151467946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).