3-aminophenol;molecular nitrogen

C6H7N3O — CID 174840874

IUPAC3-aminophenol;molecular nitrogen
SMILESN#N.Nc1cccc(O)c1
InChIInChI=1S/C6H7NO.N2/c7-5-2-1-3-6(8)4-5;1-2/h1-4,8H,7H2;
InChIKeyJCBSHWICRGMNBA-UHFFFAOYSA-N
MW137.14 g/mol
LogP1.00
Rot. Bonds

About 3-aminophenol;molecular nitrogen

3-aminophenol;molecular nitrogen (PubChem CID 174840874) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 3-aminophenol;molecular nitrogen.

Molecular Properties

Compound Name3-aminophenol;molecular nitrogen
PubChem CID174840874
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name3-aminophenol;molecular nitrogen
SMILESN#N.Nc1cccc(O)c1
InChIInChI=1S/C6H7NO.N2/c7-5-2-1-3-6(8)4-5;1-2/h1-4,8H,7H2;
InChIKeyJCBSHWICRGMNBA-UHFFFAOYSA-N
XLogP1.00
TPSA93.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-aminophenol;molecular nitrogen?
The IUPAC name of 3-aminophenol;molecular nitrogen (CID 174840874) is 3-aminophenol;molecular nitrogen.
What is the SMILES notation for 3-aminophenol;molecular nitrogen?
The canonical SMILES for 3-aminophenol;molecular nitrogen is N#N.Nc1cccc(O)c1.
What is the InChIKey of 3-aminophenol;molecular nitrogen?
The InChIKey is JCBSHWICRGMNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.N2/c7-5-2-1-3-6(8)4-5;1-2/h1-4,8H,7H2;.
What are the key properties of 3-aminophenol;molecular nitrogen?
3-aminophenol;molecular nitrogen has a molecular weight of 137.14 g/mol, XLogP of 1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminophenol;molecular nitrogen is sourced from PubChem (CID 174840874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).