N-(2-hydroxy-5-nitrophenyl)formamide

C7H6N2O4 — CID 4089953

IUPACN-(2-hydroxy-5-nitrophenyl)formamide
SMILESO=CNc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C7H6N2O4/c10-4-8-6-3-5(9(12)13)1-2-7(6)11/h1-4,11H,(H,8,10)
InChIKeyDBNAERXDKYYDSJ-UHFFFAOYSA-N
MW182.14 g/mol
LogP0.87
Rot. Bonds3

About N-(2-hydroxy-5-nitrophenyl)formamide

N-(2-hydroxy-5-nitrophenyl)formamide (PubChem CID 4089953) has the molecular formula C7H6N2O4 and a molecular weight of 182.14 g/mol. Its IUPAC name is N-(2-hydroxy-5-nitrophenyl)formamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-nitrophenyl)formamide
PubChem CID4089953
Molecular FormulaC7H6N2O4
Molecular Weight182.14 g/mol
Exact Mass182.03
IUPAC NameN-(2-hydroxy-5-nitrophenyl)formamide
SMILESO=CNc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C7H6N2O4/c10-4-8-6-3-5(9(12)13)1-2-7(6)11/h1-4,11H,(H,8,10)
InChIKeyDBNAERXDKYYDSJ-UHFFFAOYSA-N
XLogP0.87
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-nitrophenyl)formamide?
The IUPAC name of N-(2-hydroxy-5-nitrophenyl)formamide (CID 4089953) is N-(2-hydroxy-5-nitrophenyl)formamide.
What is the SMILES notation for N-(2-hydroxy-5-nitrophenyl)formamide?
The canonical SMILES for N-(2-hydroxy-5-nitrophenyl)formamide is O=CNc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of N-(2-hydroxy-5-nitrophenyl)formamide?
The InChIKey is DBNAERXDKYYDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O4/c10-4-8-6-3-5(9(12)13)1-2-7(6)11/h1-4,11H,(H,8,10).
What are the key properties of N-(2-hydroxy-5-nitrophenyl)formamide?
N-(2-hydroxy-5-nitrophenyl)formamide has a molecular weight of 182.14 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-nitrophenyl)formamide is sourced from PubChem (CID 4089953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).