formamide;2-nitrophenol

C7H8N2O4 — CID 20538790

IUPACformamide;2-nitrophenol
SMILESNC=O.O=[N+]([O-])c1ccccc1O
InChIInChI=1S/C6H5NO3.CH3NO/c8-6-4-2-1-3-5(6)7(9)10;2-1-3/h1-4,8H;1H,(H2,2,3)
InChIKeyCPIGQRQONZEGDZ-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.40
Rot. Bonds1

About formamide;2-nitrophenol

formamide;2-nitrophenol (PubChem CID 20538790) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is formamide;2-nitrophenol.

Molecular Properties

Compound Nameformamide;2-nitrophenol
PubChem CID20538790
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Nameformamide;2-nitrophenol
SMILESNC=O.O=[N+]([O-])c1ccccc1O
InChIInChI=1S/C6H5NO3.CH3NO/c8-6-4-2-1-3-5(6)7(9)10;2-1-3/h1-4,8H;1H,(H2,2,3)
InChIKeyCPIGQRQONZEGDZ-UHFFFAOYSA-N
XLogP0.40
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

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CID 141028739
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Frequently Asked Questions

What is the IUPAC name of formamide;2-nitrophenol?
The IUPAC name of formamide;2-nitrophenol (CID 20538790) is formamide;2-nitrophenol.
What is the SMILES notation for formamide;2-nitrophenol?
The canonical SMILES for formamide;2-nitrophenol is NC=O.O=[N+]([O-])c1ccccc1O.
What is the InChIKey of formamide;2-nitrophenol?
The InChIKey is CPIGQRQONZEGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3.CH3NO/c8-6-4-2-1-3-5(6)7(9)10;2-1-3/h1-4,8H;1H,(H2,2,3).
What are the key properties of formamide;2-nitrophenol?
formamide;2-nitrophenol has a molecular weight of 184.15 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;2-nitrophenol is sourced from PubChem (CID 20538790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).