2,3-dinitrophenol;1H-pyrrole

C10H9N3O5 — CID 141490929

IUPAC2,3-dinitrophenol;1H-pyrrole
SMILESO=[N+]([O-])c1cccc(O)c1[N+](=O)[O-].c1cc[nH]c1
InChIInChI=1S/C6H4N2O5.C4H5N/c9-5-3-1-2-4(7(10)11)6(5)8(12)13;1-2-4-5-3-1/h1-3,9H;1-5H
InChIKeyPWBRRUPJTXTTEH-UHFFFAOYSA-N
MW251.20 g/mol
LogP2.22
Rot. Bonds2

About 2,3-dinitrophenol;1H-pyrrole

2,3-dinitrophenol;1H-pyrrole (PubChem CID 141490929) has the molecular formula C10H9N3O5 and a molecular weight of 251.20 g/mol. Its IUPAC name is 2,3-dinitrophenol;1H-pyrrole.

Molecular Properties

Compound Name2,3-dinitrophenol;1H-pyrrole
PubChem CID141490929
Molecular FormulaC10H9N3O5
Molecular Weight251.20 g/mol
Exact Mass251.05
IUPAC Name2,3-dinitrophenol;1H-pyrrole
SMILESO=[N+]([O-])c1cccc(O)c1[N+](=O)[O-].c1cc[nH]c1
InChIInChI=1S/C6H4N2O5.C4H5N/c9-5-3-1-2-4(7(10)11)6(5)8(12)13;1-2-4-5-3-1/h1-3,9H;1-5H
InChIKeyPWBRRUPJTXTTEH-UHFFFAOYSA-N
XLogP2.22
TPSA122.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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2-(2,3-dinitroanilino)phenol
CID 174683921
1,2-bis(2,3-dinitrophenyl)ethane-1,2-dione
CID 18546886
2-nitrobenzene-1,3-diol;2-nitrobenzene-1,4-diol
CID 162059656
2,3-dinitrobenzoic acid;2-nitrobenzoic acid
CID 160869744
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CID 175346850
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CID 59302303

Frequently Asked Questions

What is the IUPAC name of 2,3-dinitrophenol;1H-pyrrole?
The IUPAC name of 2,3-dinitrophenol;1H-pyrrole (CID 141490929) is 2,3-dinitrophenol;1H-pyrrole.
What is the SMILES notation for 2,3-dinitrophenol;1H-pyrrole?
The canonical SMILES for 2,3-dinitrophenol;1H-pyrrole is O=[N+]([O-])c1cccc(O)c1[N+](=O)[O-].c1cc[nH]c1.
What is the InChIKey of 2,3-dinitrophenol;1H-pyrrole?
The InChIKey is PWBRRUPJTXTTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O5.C4H5N/c9-5-3-1-2-4(7(10)11)6(5)8(12)13;1-2-4-5-3-1/h1-3,9H;1-5H.
What are the key properties of 2,3-dinitrophenol;1H-pyrrole?
2,3-dinitrophenol;1H-pyrrole has a molecular weight of 251.20 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dinitrophenol;1H-pyrrole is sourced from PubChem (CID 141490929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).